SCHEMBL4542999

SCHEMBL4542999

CCc1cc(C(F)(F)F)ccc1-n1cccc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.42
MAPT P10636 4/20 0.39
LMNA P02545 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
CETP P11597 1/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOTUM Q6P988 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4539208 0.86 POLB (0.44) MAPTMRGPRX4NOTUMPTGDR2POLB
SCHEMBL4541733 0.84 CFTR (0.43) CFTRMAPTLMNATSHRKMT2A
SCHEMBL4542173 0.81 CFTR (0.40) CFTRMAPTLMNAMRGPRX4TSHR
SCHEMBL4539907 0.78 CFTR (0.38) CFTRMAPTLMNAMRGPRX4TSHR
SCHEMBL4541949 0.76 MAPK14 (0.48) MAPTLMNAKMT2AMEN1CYP3A4
SCHEMBL4542227 0.75 ALDH1A1 (0.41) MAPTLMNATSHRKMT2AMEN1
SCHEMBL4544013 0.74 LDHA (0.40) CFTRMAPTLMNATSHRSMN1; SMN2
SCHEMBL4541068 0.74 LOXL2 (0.42) CFTRMAPTLMNAMRGPRX4SMN1; SMN2
SCHEMBL25085889 0.73 CFTR (0.65) CFTRMAPTLMNAMRGPRX4CETP
SCHEMBL4542130 0.71 LMNA (0.40) MAPTLMNAMRGPRX4KMT2AHTT

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed