SCHEMBL27366274

SCHEMBL27366274

CCc1cc(C)c(C(F)(F)F)cc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.46
NOTUM Q6P988 3/20 0.42
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
SOS1 Q07889 1/20 0.38
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RORC P51449 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL8609826 0.87 SLC9A1 (0.42) CFTR
SCHEMBL27367261 0.83 NOTUM (0.54) CFTRNOTUMSOS1MAPTALDH1A1
SCHEMBL18432311 0.81 PDGFRB (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL167743 0.81 CFTR (0.48) CFTRNOTUMKDRSOS1HPGD
SCHEMBL23727489 0.80 CFTR (0.44) CFTRNOTUMKDRSOS1MAPT
SCHEMBL23728049 0.80 CFTR (0.55) CFTRNOTUMMAPTALDH1A1KDM4E
SCHEMBL30032160 0.79 CFTR (0.66) CFTRNOTUMMAPTALDH1A1KDM4E
SCHEMBL168616 0.79 CFTR (0.47) CFTRNOTUMSOS1MAPTALDH1A1
SCHEMBL15920408 0.77 CFTR (0.57) CFTRNOTUMSOS1MAPTALDH1A1
SCHEMBL18432266 0.76 PDGFRB (0.41) PDGFRBFGFR1PDGFRAFLT1FGFR3

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
CN-1064955-C Fluorine-containing benzoylguanidines MERCK PATENT GMBH (DE) 2001-04-25 CN disclosed
CN-1143632-A Fluorine-containing benzoylguanidines MERCK PATENT GMBH (DE) 1997-02-26 CN disclosed