SCHEMBL15544129

SCHEMBL15544129

COC(=O)c1cc(F)c(C(=O)O)cc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.39
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
CFTR P13569 1/20 0.38
SCN9A Q15858 14/20 0.38
SCN5A Q14524 3/20 0.38
NOTUM Q6P988 1/20 0.38
SLC6A4 P31645 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL15544096 0.83 CFTR (0.38) SLC6A3PDK2PDK4CFTRSCN9A
SCHEMBL24746179 0.82 SOS1 (0.40) SLC6A3PDK2PDK4CFTRSCN9A
SCHEMBL16759241 0.81 TSHR (0.41) SLC6A3PDK2PDK4SCN9ASCN5A
SCHEMBL10148394 0.79 NOTUM (0.40) SCN9ANOTUMALDH1A1HPGD
SCHEMBL31432451 0.78 GAA (0.41) SLC6A3PDK2PDK4CFTRSCN9A
SCHEMBL12487977 0.78 PDK2 (0.38) SLC6A3PDK2PDK4ALDH1A1HPGD
SCHEMBL31460077 0.77 MAPK1 (0.45) SCN9ANOTUMALDH1A1HPGD
SCHEMBL31502284 0.76 PDK2 (0.40) SLC6A3PDK2PDK4CFTRSCN9A
SCHEMBL21232435 0.76 CFTR (0.49) SLC6A3PDK2PDK4CFTRSCN9A
SCHEMBL24928666 0.76 KDM4E (0.41) SLC6A3PDK2PDK4CFTRSCN9A

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-2870138-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2015-05-13 EP disclosed
WO-2014008458-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-01-09 WO disclosed