SCHEMBL9526423

SCHEMBL9526423

CC(=O)c1cccc(-c2ccccc2OCc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 14/20 0.72
PTGER4 P35408 5/20 0.63
PTGER3 P43115 5/20 0.63
PTGER2 P43116 5/20 0.63
MAOB P27338 2/20 0.62
RXRA P19793 1/20 0.60
RXRB P28702 1/20 0.60
RXRG P48443 1/20 0.60
CYP2C9 P11712 1/20 0.60
MCL1 Q07820 1/20 0.57
MRGPRX4 Q96LA9 2/20 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
SCHEMBL1667780 0.86 PTGER1 (0.72) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL1638061 0.86 MAOB (0.62) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL18495766 0.85 MAOB (0.56) PTGER1PTGER4PTGER3PTGER2MAOB
Acetic Acid SCHEMBL5690407 0.84 RXRA (0.72) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL5096132 0.84 PTGER1 (1.00) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL1637811 0.80 MAOB (0.54) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL5110014 0.80 PTGER1 (0.74) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL27794248 0.78 PTGER1 (0.66) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL5933469 0.78 PTGER1 (0.82) PTGER1RXRARXRBRXRGCYP2C9
SCHEMBL1449798 0.77 MAPT (0.53) PTGER1MAOB

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
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed