SCHEMBL6217832

SCHEMBL6217832

CCOC(=O)OC1Nc2cc(Cl)cc(Cl)c2C2C3CCC(C3)C12

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33

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
SCHEMBL6211637 0.83
SCHEMBL6211796 0.77 GAPDH (0.35) MAPK1
SCHEMBL6214303 0.74 GAPDH (0.57)
SCHEMBL6951562 0.71 CYP2C9 (0.37)
SCHEMBL6675758 0.71 GAPDH (0.56)
SCHEMBL7488178 0.71 ALDH1A1 (0.39)
SCHEMBL6214662 0.71 POLB (0.34) MAPK1
SCHEMBL6213758 0.70 POLB (0.33) MAPK1
SCHEMBL6947134 0.69 ALDH1A1 (0.38) MAPK1
SCHEMBL7546562 0.69 ABCC1 (0.38) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254118-B1 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2005-11-09 EP claimed
EP-1254118-B1 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2005-11-09 EP disclosed
EP-1254118-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2002-11-06 EP disclosed
WO-2001058875-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2001-08-16 WO disclosed