SCHEMBL1702351

SCHEMBL1702351

CCCCC(CC)CC(CCC(=O)O)(CC(CC)CCCC)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.49
TSHR P16473 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.40
AKR1B1 P15121 1/20 0.38
MAPK1 P28482 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 2/20 0.38
GPR84 Q9NQS5 6/20 0.37
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
HDAC11 Q96DB2 5/20 0.37
TLR2 O60603 2/20 0.37
FABP4 P15090 2/20 0.37
PTPN1 P18031 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37

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
SCHEMBL44235 0.92 CA2 (0.47) CA2TSHRTDP1CYP3A4ATM
Adipic Acid SCHEMBL9157615 0.91 CA2 (0.46) CA2TSHRTDP1CYP3A4ATM
SCHEMBL10503904 0.91 CA2 (0.46) CA2TSHRTDP1CYP3A4ATM
SCHEMBL494655 0.89 GPR84 (0.46) CA2TSHRTDP1CYP3A4ATM
SCHEMBL495135 0.89 GPR84 (0.46) CA2TSHRTDP1CYP3A4ATM
SCHEMBL18786501 0.89 GPR84 (0.46) CA2TSHRTDP1CYP3A4ATM
SCHEMBL496109 0.89 GPR84 (0.46) CA2TSHRTDP1CYP3A4ATM
SCHEMBL107048 0.89 GPR84 (0.46) CA2TSHRTDP1CYP3A4ATM
SCHEMBL493756 0.89 GPR84 (0.46) CA2TSHRTDP1CYP3A4ATM
SCHEMBL493867 0.89 GPR84 (0.46) CA2TSHRTDP1CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170118977-A1 MITE REPELLENT, AND MITE-REPELLENT RESIN COMPOSITION AND MITE-REPELLENT PRODUCT USING SAME TOAGOSEI CO., LTD. (JP) 2017-05-04 US disclosed
EP-2554049-B1 Herbicidal composition with improved efficiency, preparation method and use ARD SA (FR) 2016-03-02 EP disclosed
EP-2582765-B1 2-ETHYLHEXYL METHYL TEREPHTHALATE AS PLASTICISERS IN ADHESIVES OR SEALANTS BASF SE (DE) 2014-10-15 EP disclosed
EP-2588246-A1 PROCESS FOR PREPARING A THIXOTROPING AGENT AND USE THEREOF Construction Research & Technology GmbH (DE) 2013-05-08 EP disclosed
EP-2582765-A1 2-ETHYLHEXYL METHYL TEREPHTHALATE AS PLASTICISERS IN ADHESIVES OR SEALANTS BASF SE (DE) 2013-04-24 EP disclosed
US-20130040867-A1 TRUNK PISTON ENGINE LUBRICATING OIL COMPOSITIONS CHEVRON ORONITE TECHNOLOGY B.V. (US) 2013-02-14 US disclosed
EP-2554049-A1 Herbicidal composition with improved efficiency, preparation method and use AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 2013-02-06 EP disclosed
US-8318643-B2 Trunk piston engine lubricating oil compositions Cherron Oronite Technology B.V. (NL) 2012-11-27 US disclosed
WO-2012000774-A1 PROCESS FOR PREPARING A THIXOTROPING AGENT AND USE THEREOF CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2012-01-05 WO disclosed
WO-2011161037-A1 2-ETHYLHEXYL METHYL TEREPHTHALATE AS PLASTICISERS IN ADHESIVES OR SEALANTS BASF SE (DE) 2011-12-29 WO disclosed
US-20110319304-A1 Trunk piston engine lubricating oil compositions CHEVRON ORONITE TECHNOLOGY B.V. (NL) 2011-12-29 US disclosed