SCHEMBL9740716

SCHEMBL9740716

CCN(C(=O)COc1ccc(C=O)cc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TRPM8 Q7Z2W7 2/20 0.50
ALDH1A1 P00352 4/20 0.49
RECQL P46063 1/20 0.49
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.47
OXTR P30559 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
SCHEMBL9327118 0.84 MLYCD (0.55) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6539244 0.79 NPC1 (0.65) NPC1RAB9ATRPM8ALDH1A1
SCHEMBL6305242 0.78 RELA (0.57) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6538464 0.77 SMN1; SMN2 (0.61) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10143988 0.76 NPC1 (0.63) MEN1KMT2ANPC1RAB9ATRPM8
SCHEMBL6148806 0.76 MEN1 (0.61) MEN1KMT2A
SCHEMBL6765958 0.76 MEN1 (0.58) MEN1KMT2ANPC1RAB9ATRPM8
SCHEMBL17230201 0.76 TRPM8 (0.64) MEN1KMT2ANPC1RAB9ATRPM8
SCHEMBL6657920 0.76 ALDH1A1 (0.61) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL6538743 0.75 NPC1 (0.52) NPC1RAB9ATRPM8ALDH1A1SMN1; SMN2

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-5132317-A Thiazolidinediones, Hypoglycemia Agents BEECHAM GROUP P.L.C. (GB) 1992-07-21 US disclosed