SCHEMBL4539208

SCHEMBL4539208

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGDR2 Q9Y5Y4 12/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
MAPT P10636 1/20 0.38
NOTUM Q6P988 2/20 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
SCHEMBL4542999 0.86 CFTR (0.42) POLBPTGDR2MRGPRX4MAPTNOTUM
SCHEMBL4542122 0.81 CYP1A2 (0.47) POLBAPEX1TDP1L3MBTL1MRGPRX4
SCHEMBL4540416 0.81 POLB (0.47) POLBAPEX1TDP1L3MBTL1MAPT
SCHEMBL4543818 0.78 POLB (0.65) POLBAPEX1TDP1L3MBTL1MAPT
SCHEMBL4960652 0.75 POLB (0.47) POLBAPEX1TDP1L3MBTL1NOTUM
SCHEMBL4541949 0.74 MAPK14 (0.48) POLBMAPT
SCHEMBL4540738 0.73 L3MBTL1 (0.42) POLBAPEX1TDP1L3MBTL1MAPT
SCHEMBL421582 0.70 ALDH1A1 (0.59) MRGPRX4NOTUM
SCHEMBL4540644 0.70 POLB (0.47) POLBAPEX1TDP1L3MBTL1MAPT
SCHEMBL4540121 0.70 TDP1 (0.43) POLBAPEX1TDP1L3MBTL1

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