SCHEMBL9568004

SCHEMBL9568004

NC(=O)C(C(Cc1ccccc1)c1ccccc1)C1CCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.48
EPHX1 P07099 1/20 0.42
HTT P42858 1/20 0.41
EPHX2 P34913 2/20 0.39
KMT2A Q03164 1/20 0.39
PSMB5 P28074 1/20 0.39
CFD P00746 2/20 0.39
HAO1 Q9UJM8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL9047990 0.82 EPHX1 (0.36) TRPM8EPHX1CHRM1
SCHEMBL9567976 0.81 TRPM8 (0.47) TRPM8EPHX1HTTEPHX2KMT2A
SCHEMBL9047991 0.80 PTGIR (0.38) TRPM8EPHX1
SCHEMBL9567968 0.76 TRPM8 (0.49) TRPM8HTTHAO1ALDH1A1
SCHEMBL9567950 0.75 TRPM8 (0.48) TRPM8HTTALDH1A1
SCHEMBL27385115 0.74 TRPM8 (0.43) TRPM8EPHX1EPHX2
SCHEMBL2406499 0.71 HTT (0.45) TRPM8HTTALDH1A1
SCHEMBL5198565 0.71 TRPM8 (0.44) TRPM8HTTALDH1A1
SCHEMBL8515492 0.70 TAOK1 (0.42) TRPM8EPHX2PSMB5ALDH1A1
SCHEMBL30644032 0.70 HTT (0.48) TRPM8EPHX1HTTKMT2AALDH1A1

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
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed