SCHEMBL8414265

SCHEMBL8414265

O=C(O)C(C=CCn1cnc(Cc2ccccc2)c1)Oc1cccc2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRB P28702 9/20 0.38
RXRA P19793 9/20 0.38
RXRG P48443 6/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
MCL1 Q07820 2/20 0.35
PTGIR P43119 2/20 0.35
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PRMT5 O14744 1/20 0.33
S1PR5 Q9H228 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL8410701 0.81 RXRB (0.40) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL8413330 0.79 RXRB (0.40) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL8414261 0.72 TK1 (0.36) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL8413670 0.72 PTGIR (0.38) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL8414405 0.71 RXRA (0.36) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL8414025 0.71 PTGIR (0.43) RXRBRXRARXRGMCL1PTGIR
SCHEMBL8410993 0.71 CYP26A1 (0.39) PTGIR
SCHEMBL8809752 0.69 PTGIR (0.44) PTGIR
SCHEMBL8811745 0.69 PTGIR (0.44) PTGIR
SCHEMBL8811750 0.68 ACHE (0.35) PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5849919-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor anonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed