SCHEMBL8856992

SCHEMBL8856992

CCCCCc1c(C(=O)O)n(Cc2cc(OC)cc(OC)c2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 10/20 0.55
TP53 P04637 2/20 0.54
MCL1 Q07820 1/20 0.53
EDNRB P24530 1/20 0.49
EDNRA P25101 1/20 0.49
CNR2 P34972 2/20 0.48
CCR2 P41597 1/20 0.47

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
SCHEMBL8857072 0.91 TP53 (0.64) FOLH1TP53MCL1EDNRBEDNRA
SCHEMBL8857042 0.86 FOLH1 (0.70) FOLH1TP53MCL1
SCHEMBL8857055 0.83 FOLH1 (0.62) FOLH1TP53MCL1CNR2
SCHEMBL8857009 0.81 MCL1 (0.58) FOLH1TP53MCL1EDNRBEDNRA
SCHEMBL8857037 0.81 FOLH1 (0.54) FOLH1TP53MCL1CNR2CCR2
SCHEMBL5669208 0.79 CNR2 (0.54) FOLH1TP53CNR2
SCHEMBL8856965 0.76 FOLH1 (0.48) FOLH1TP53MCL1EDNRBCNR2
SCHEMBL9268492 0.75 PLA2G2A (0.64)
SCHEMBL15622969 0.74 MCL1 (0.76) FOLH1MCL1
SCHEMBL9263671 0.73 MCL1 (0.61) MCL1

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
US-5684032-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC, ANTIASTHMATIC AGENTS AND RESPIRATORY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-04 US disclosed