SCHEMBL15670385

SCHEMBL15670385

Cc1cc(C(=O)O)cc(OCC(F)(F)F)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
RXRA P19793 2/20 0.39
HNF4A P41235 1/20 0.39
NUDT1 P36639 2/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX2 P34913 1/20 0.38
MRGPRX4 Q96LA9 3/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
POLQ O75417 1/20 0.37
HPGDS O60760 1/20 0.37
RBP4 P02753 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CYP2C9 P11712 1/20 0.36
RECQL P46063 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
SCHEMBL2714515 0.88 L3MBTL1 (0.43) L3MBTL1NUDT1EPHX2POLBMAPK1
SCHEMBL28093640 0.85 L3MBTL1 (0.41) L3MBTL1NUDT1ALDH1A1EPHX2POLB
SCHEMBL15670148 0.84 CA12 (0.44) L3MBTL1ALDH1A1CYP2C19POLQKDM4E
SCHEMBL20606909 0.82 L3MBTL1 (0.54) L3MBTL1RXRAHNF4AALDH1A1EPHX2
SCHEMBL1424858 0.81 MAPT (0.51) RXRAALDH1A1POLBCYP1A2CYP2C19
SCHEMBL18669508 0.77 L3MBTL1 (0.49) L3MBTL1RXRAHNF4AMRGPRX4HPGDS
SCHEMBL13737332 0.77 TACR1 (0.41) L3MBTL1NUDT1EPHX2POLQHCRTR1
SCHEMBL13737333 0.77 GRM5 (0.49) L3MBTL1RXRANUDT1ALDH1A1POLB
SCHEMBL4872492 0.76 MAPT (0.51) L3MBTL1ALDH1A1KDM4ETPMT
SCHEMBL5365414 0.75 ALDH1A1 (0.58) ALDH1A1POLBCYP1A2KDM4ETPMT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914597-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-12-06 EP disclosed
EP-2914597-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-09-09 EP disclosed
WO-2014068988-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-05-08 WO disclosed