SCHEMBL8482147

SCHEMBL8482147

COc1cccc(C(=O)O)c1C[O]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
HPGD P15428 7/20 0.49
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 3/20 0.49
KMT2A Q03164 2/20 0.47
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 0.47
NPC1 O15118 2/20 0.46
CTSD P07339 1/20 0.46
MAPK1 P28482 1/20 0.45
TSHR P16473 2/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL668793 0.86 HTT (0.54) HTTCA12CA1CA2CA7
SCHEMBL1987451 0.86 HTT (0.54) HTTCA12CA1CA2CA7
SCHEMBL2315524 0.84 HTT (0.53) HTTCA12CA1CA2CA7
SCHEMBL668359 0.84 HTT (0.53) HTTCA12CA1CA2CA7
SCHEMBL11790880 0.84 HTT (0.53) HTTCA12CA1CA2CA7
SCHEMBL668753 0.84 HTT (0.53) HTTCA12CA1CA2CA7
SCHEMBL2427873 0.83 HTT (0.56) HTTCA12CA1CA2CA7
SCHEMBL6307911 0.81 FAAH (0.58) HTTCA12CA1CA2CA7
SCHEMBL667788 0.81 HTT (0.50) HTTCA12CA1CA2CA7
SCHEMBL1044930 0.80 CA1 (0.50) HTTCA12CA1CA2CA7

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
US-5856334-A ANTAGONIST FOR EOSINOPHILS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-01-05 US disclosed
EP-0773219-A1 IMIDAZOQUINOLINE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-05-14 EP disclosed