SCHEMBL1319507

SCHEMBL1319507

C=C(C)C(=O)Oc1cc(C(=O)O)c(OC(=O)C(=C)C)c(C(=O)OCC)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ GAA P10253 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27728615 0.79 CA12 (0.40) NR1H2NR1H3KDM4EMAPTPOLB
SCHEMBL1319878 0.76 CFD (0.45) KDM4EMAPTCA12CA1CA2
SCHEMBL6536425 0.75 CA12 (0.42) NR1H2NR1H3KDM4EMAPTPOLB
SCHEMBL28058206 0.74 TSHR (0.49) KDM4EMAPTCA12CA1CA2
SCHEMBL27962389 0.74 HSD17B2 (0.49) KDM4EMAPTPOLBCA12CA1
SCHEMBL2424121 0.73 ELANE (0.39) KDM4EPOLBTSHRHSD17B10TDP1
SCHEMBL27788214 0.70 ALDH1A1 (0.42) NR1H2NR1H3MAPTCA12CA1
SCHEMBL1355426 0.70 KDM4E (0.39) KDM4EMAPTPOLBTSHRCYP3A4
SCHEMBL27969884 0.69 TSHR (0.32) TSHRHSD17B10
SCHEMBL65777 0.69 CFD (0.44) KDM4ETSHRHSD17B10TDP1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9937104-B2 Nanostructured antibacterial and remineralizing dental bonding agents and dental bonding systems UNIVERSITY OF MARYLAND, BALTIMORE (US) 2018-04-10 — — US claimed
US-20170202752-A1 PROTEIN-REPELLENT DENTAL MATERIALS AND USE THEREOF IN DENTAL APPLICATIONS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-20 — — US claimed
EP-3171849-A1 PROTEIN-REPELLENT DENTAL MATERIALS AND USE THEREOF IN DENTAL APPLICATIONS The University of Maryland, Baltimore (US) 2017-05-31 — — EP claimed
US-20170112723-A1 NANOSTRUCTURED ANTIBACTERIAL AND REMINERALIZING DENTAL BONDING AGENTS AND DENTAL BONDING SYSTEMS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-04-27 — — US claimed
US-9554971-B2 Nanostructured antibacterial and remineralizing dental bonding agents and dental bonding systems UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-01-31 — — US claimed
US-20160058675-A1 NANOSTRUCTURED ANTIBACTERIAL AND REMINERALIZING DENTAL BONDING AGENTS AND DENTAL BONDING SYSTEMS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-03 — — US claimed
WO-2016015005-A1 PROTEIN-REPELLENT DENTAL MATERIALS AND USE THEREOF IN DENTAL APPLICATIONS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-01-28 — — WO claimed
EP-2811966-A1 NANOSTRUCTURED ANTIBACTERIAL AND REMINERALIZING DENTAL BONDING AGENTS AND DENTAL BONDING SYSTEMS University of Maryland (US) 2014-12-17 — — EP claimed
WO-2013119901-A1 NANOSTRUCTURED ANTIBACTERIAL AND REMINERALIZING DENTAL BONDING AGENTS AND DENTAL BONDING SYSTEMS UNIVERSITY OF MARYLAND (US) 2013-08-15 — — WO claimed
WO-2013057519-A1 DENTAL ADHESIVE SYSTEMS KING'S COLLEGE LONDON (GB) 2013-04-25 — — WO claimed
EP-2571479-A2 DENTAL COMPOSITIONS Levin, Leana (US) 2013-03-27 — — EP claimed
US-20110275035-A1 DENTAL COMPOSITIONS DENTSPLY INTERNATIONAL INC. (US) 2011-11-10 — — US claimed
WO-2011139936-A2 DENTAL COMPOSITIONS LEVIN, LEANA (US) 2011-11-10 — — WO claimed
US-9937104-B2 Nanostructured antibacterial and remineralizing dental bonding agents and dental bonding systems UNIVERSITY OF MARYLAND, BALTIMORE (US) 2018-04-10 — — US disclosed
US-20170202752-A1 PROTEIN-REPELLENT DENTAL MATERIALS AND USE THEREOF IN DENTAL APPLICATIONS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-20 — — US disclosed
EP-3171849-A1 PROTEIN-REPELLENT DENTAL MATERIALS AND USE THEREOF IN DENTAL APPLICATIONS The University of Maryland, Baltimore (US) 2017-05-31 — — EP disclosed
EP-2571479-A2 DENTAL COMPOSITIONS Levin, Leana (US) 2013-03-27 — — EP disclosed
WO-2012146832-A2 A METHOD FOR IMPROVING PENETRATION OR LONG TERM ADHESION OF COMPOSITIONS TO DENTAL TISSUES AND COMPOSITIONS USABLE IN SAID METHOD OULUN YLIOPISTO (FI) 2012-11-01 — — WO disclosed
US-20110275035-A1 DENTAL COMPOSITIONS DENTSPLY INTERNATIONAL INC. (US) 2011-11-10 — — US disclosed
WO-2011139936-A2 DENTAL COMPOSITIONS LEVIN, LEANA (US) 2011-11-10 — — WO disclosed
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