SCHEMBL6239698

SCHEMBL6239698

O=C(O)c1ccc(COc2ccccc2C(=O)c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.64
RXRB P28702 7/20 0.64
RXRG P48443 6/20 0.64
HPGD P15428 2/20 0.64
ATM Q13315 1/20 0.62
PARP1 P09874 1/20 0.60
SRD5A2 P31213 2/20 0.59
PTGER1 P34995 1/20 0.57
PTGER4 P35408 1/20 0.57
PTGER3 P43115 1/20 0.57
PTGER2 P43116 1/20 0.57
FOLH1 Q04609 1/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
KDM4E B2RXH2 1/20 0.52
PSMD14 O00487 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
CRHBP P24387 1/20 0.52

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
SCHEMBL8670382 0.91 SGMS2 (0.60) ATMPARP1SRD5A2ALDH1A1MAPT
SCHEMBL5393391 0.89 RXRA (0.58) RXRARXRBRXRGHPGDATM
SCHEMBL10102482 0.85 RXRA (0.68) RXRARXRBRXRGHPGDATM
SCHEMBL9696207 0.82 SGMS2 (0.66) PARP1PTGER1FOLH1ALDH1A1MAPT
SCHEMBL7774921 0.81 RXRA (0.58) RXRARXRBRXRGHPGDPARP1
SCHEMBL9195711 0.79 MEN1 (0.55) RXRARXRBRXRGHPGDPTGER1
SCHEMBL27499066 0.79 SGMS2 (0.84) RXRARXRBRXRGHPGDALDH1A1
SCHEMBL4000214 0.79 PTGER1 (0.72) RXRARXRBRXRGHPGDSRD5A2
SCHEMBL4728970 0.79 ATM (0.55) HPGDATMPARP1SRD5A2PTGER1
SCHEMBL112903 0.79 SGMS2 (0.66) PARP1PTGER1FOLH1KDM4EALDH1A1

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
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO claimed