SCHEMBL6946334

SCHEMBL6946334

CCOC(=O)OC1CC(c2ccc3ccccc3c2)c2c(Cl)cc(Cl)cc2N1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 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
SCHEMBL6951129 0.89 MEN1 (0.39)
SCHEMBL7546562 0.88 ABCC1 (0.38)
SCHEMBL6947977 0.87 MAPK1 (0.38)
SCHEMBL6945541 0.87 MAPK1 (0.35)
SCHEMBL6952784 0.85 GAA (0.35)
SCHEMBL6952693 0.85 MAPT (0.35)
SCHEMBL6949316 0.85 ALDH1A1 (0.35)
SCHEMBL6944762 0.85 ALDH1A1 (0.37)
SCHEMBL6771596 0.85 MMP13 (0.41) MMP13
SCHEMBL6946595 0.84 POLB (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003522758-A 2003-07-29 JP claimed
EP-1254118-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2002-11-06 EP claimed
WO-2001058875-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2001-08-16 WO claimed
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