SCHEMBL1319878

SCHEMBL1319878

C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(C(=O)O)c2C(=O)OCC)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 2/20 0.45
▸ PTPN11 Q06124 3/20 0.38
▸ PRKCZ Q05513 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ PTPN1 P18031 3/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ PTPRF P10586 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPA Q15257 1/20 0.36
▸ TARBP2 Q15633 1/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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 0.81 CA12 (0.40) CFDMAPTALDH1A1GAAKDM4E
SCHEMBL6536425 0.77 CA12 (0.42) MAPTALDH1A1GAAKDM4ENPC1
SCHEMBL1319507 0.76 NR1H2 (0.37) MAPTALDH1A1GAAKDM4ENPC1
SCHEMBL28058206 0.73 TSHR (0.49) MAPTALDH1A1GAAKDM4ENPC1
SCHEMBL27962389 0.71 HSD17B2 (0.49) HTTMAPTALDH1A1KDM4ENPC1
SCHEMBL15495837 0.71 CA12 (0.59) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL27818668 0.70 ALDH1A1 (0.43) HTTMAPTALDH1A1GAAKDM4E
SCHEMBL27488935 0.70 ELANE (0.40) CFDMAPTALDH1A1GAAKDM4E
SCHEMBL339060 0.69 PTPN1 (0.48) PTPN11PTPN1PTPRCPTPRFPTPN2
SCHEMBL3009969 0.69 TSHR (0.61) MAPTALDH1A1GAAKDM4ELMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10813849-B2 Rechargeable calcium phosphate-containing dental materials UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-10-27 — — US disclosed
US-20190290550-A1 METFORMIN-CONTAINING DENTAL MATERIALS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2019-09-26 — — US disclosed
US-9452112-B2 Dental compositions DENTSPLY INTERNATIONAL INC. (US) 2016-09-27 — — US disclosed
US-20160228335-A1 RECHARGEABLE CALCIUM PHOSPHATE-CONTAINING DENTAL MATERIALS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-08-11 — — US disclosed
EP-2571479-A2 DENTAL COMPOSITIONS Levin, Leana (US) 2013-03-27 — — EP 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
Send feedback