SCHEMBL9064469

SCHEMBL9064469

C=C/C(=N/O)c1ccc(OCc2ccccc2)c(CCCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.65
PTGER4 P35408 2/20 0.65
PTGER3 P43115 2/20 0.65
PTGER2 P43116 2/20 0.65
RXRA P19793 7/20 0.44
RXRB P28702 6/20 0.44
RXRG P48443 5/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
PAX8 Q06710 1/20 0.43
KLF5 Q13887 1/20 0.43
HIF1A Q16665 1/20 0.43
MTNR1B P49286 2/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42

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
SCHEMBL8653761 0.88 PTGER1 (0.50) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8324492 0.85 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8324495 0.85 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8324840 0.85 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8323764 0.85 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8318002 0.82 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL9058140 0.82 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8321346 0.82 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8327256 0.81 PTGER1 (0.72) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8323711 0.81 PTGER1 (0.65) PTGER1PTGER4PTGER3PTGER2RXRA

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-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed