SCHEMBL7734770

SCHEMBL7734770

CCCCCCc1cc(N)cc(C(=O)OCC)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NOD2 Q9HC29 1/20 0.46
PTGES O14684 2/20 0.44
TOP2A P11388 1/20 0.44
PPARA Q07869 4/20 0.43
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
PPARG P37231 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
SAE1 Q9UBE0 2/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
PPARD Q03181 1/20 0.41
MMP2 P08253 2/20 0.41
F7 P08709 2/20 0.41

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
SCHEMBL28816668 0.81 KDM4E (0.45) PTPN1KDM4ENOD2PTGESTOP2A
SCHEMBL7736627 0.81 ALDH1A1 (0.53) KDM4EPTGESTOP2AMAPTHSD17B10
SCHEMBL7733830 0.81 ESR1 (0.44) PTPN1KDM4ENOD2PTGESTOP2A
SCHEMBL7942876 0.79 BID (0.62) KDM4EPPARABIDMCL1PPARG
SCHEMBL29046943 0.79 BID (0.62) KDM4EPPARABIDMCL1PPARG
SCHEMBL9656585 0.77 KDM4E (0.48) PTPN1KDM4ENOD2PTGESTOP2A
SCHEMBL160866 0.77 TSHR (0.50) KDM4EPTGESTOP2AHSD17B10
SCHEMBL17967705 0.77 TSHR (0.50) KDM4EPTGESTOP2AHSD17B10
SCHEMBL587098 0.77 TSHR (0.50) KDM4EPTGESTOP2AHSD17B10
SCHEMBL27927953 0.77 TSHR (0.50) PTPN1KDM4EPTGESTOP2AKAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399318-B1 ANTIGEN WHICH IS CONJUGATE OF CARRIER PROTEIN AND PHTHALIC ACID ESTER OF DEFINED STRUCTURE; FOR DETECTION AND MEASUREMENT OF PLASTICIZERS IN ENVIRONMENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-06-04 US disclosed