SCHEMBL8413330

SCHEMBL8413330

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRB P28702 9/20 0.40
RXRA P19793 9/20 0.40
RXRG P48443 6/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
MCL1 Q07820 2/20 0.34
S1PR5 Q9H228 3/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
P2RX7 Q99572 1/20 0.33
PRMT5 O14744 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL8414265 0.79 RXRB (0.38) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL8410701 0.76 RXRB (0.40) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL8414037 0.70 RXRA (0.36) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL8811750 0.70 ACHE (0.35)
SCHEMBL8809708 0.70 PTGIR (0.39) RXRBMRGPRX4SMN1; SMN2
SCHEMBL8413331 0.70 PTGIR (0.39) RXRBMRGPRX4SMN1; SMN2
SCHEMBL8414341 0.70 MCL1 (0.35) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL8410980 0.69 RXRA (0.37) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL8414350 0.69 RXRA (0.42) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL8811745 0.67 PTGIR (0.44)

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