SCHEMBL4648307

SCHEMBL4648307

CC(CCl)COc1cc(C(=O)O)nc2ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
NR1H4 Q96RI1 4/20 0.40
PDE10A Q9Y233 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DHODH Q02127 3/20 0.36
PTGER1 P34995 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
SCHEMBL4621102 0.90 PLA2G2A (0.42) IDO1DHODH
SCHEMBL4622162 0.82 CASP3 (0.39) IDO1PDE10AMEN1GAAHPGD
SCHEMBL4649127 0.82 ALOX15 (0.42) IDO1ALDH1A1ALOX15NR1H4PDE10A
SCHEMBL5097600 0.82 ALOX15 (0.42) IDO1ALDH1A1ALOX15NR1H4PDE10A
SCHEMBL4620763 0.81 PDE10A (0.52) IDO1ALDH1A1ALOX15NR1H4PDE10A
SCHEMBL4620342 0.78 ALOX15 (0.43) IDO1ALDH1A1ALOX15PDE10AGAA
SCHEMBL4620353 0.78 ALOX15 (0.43) IDO1ALDH1A1ALOX15PDE10AGAA
SCHEMBL4621105 0.77 GAA (0.40) ALDH1A1PDE10AMEN1GAAHPGD
SCHEMBL5088569 0.77 DHODH (0.45) IDO1ALDH1A1ALOX15PDE10AHPGD
SCHEMBL14255182 0.77 PLA2G2A (0.41) IDO1ALOX15MEN1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696924-B1 ACIDIC QUINOLINE DERIVATIVES AND THEIR USE FOR THE PREVENTION AND/OR TREATMENT OF HYPERGLYCAEMIA-RELATED PATHOLOGIES MERCK PATENT GMBH (DE) 2008-03-26 EP claimed
US-7470708-B2 Acidic quinoline derivatives and their use for the prevention and/or treatment of hyperglycaemia-related pathologies MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-12-30 US disclosed
US-7470708-B2 Acidic quinoline derivatives and their use for the prevention and/or treatment of hyperglycaemia-related pathologies MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-12-30 US disclosed
US-7470708-B2 Acidic quinoline derivatives and their use for the prevention and/or treatment of hyperglycaemia-related pathologies MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-12-30 US disclosed
EP-1696924-A1 ACIDIC QUINOLINE DERIVATIVES AND THEIR USE FOR THE PREVENTION AND/OR TREATMENT OF HYPERGLYCAEMIA-RELATED PATHOLOGIES MERCK PATENT GmbH (DE) 2006-09-06 EP disclosed
WO-2005063244-A1 ACIDIC QUINOLINE DERIVATIVES AND THEIR USE FOR THE PREVENTION AND/OR TREATMENT OF HYPERGLYCAEMIA-RELATED PATHOLOGIES MERCK PATENT GMBH (DE) 2005-07-14 WO disclosed