SCHEMBL6949797

SCHEMBL6949797

CCOC(=O)OC1CC(c2ccc(Cl)cc2)c2cc(Cl)ccc2N1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.39
ALOX12 P18054 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALPL P05186 1/20 0.35
CACNA1D Q01668 1/20 0.35
DPP4 P27487 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6945548 0.94 MEN1 (0.38) ABCC1ALOX12LMNAHTTMAPK1
SCHEMBL6947184 0.94 TSHR (0.43) GAATSHR
SCHEMBL6952002 0.94 MEN1 (0.39) MAPK1GAATP53TSHRCACNA1D
SCHEMBL6944953 0.91 ATM (0.37) ABCC1ALOX12LMNAHTTMAPK1
SCHEMBL6950838 0.87 MAPT (0.39) LMNAMAPK1GAAALDH1A1TP53
SCHEMBL6947302 0.87 TRPM4 (0.39) LMNAMAPK1GAAALDH1A1TSHR
SCHEMBL6949285 0.86 TSHR (0.44) ALOX12LMNAMAPK1ALDH1A1TP53
SCHEMBL6947204 0.86 MAPK1 (0.37) LMNAMAPK1ALDH1A1TP53NPSR1
SCHEMBL6941848 0.84 FDFT1 (0.39) ALOX12LMNAHTTMAPK1GAA
SCHEMBL6950779 0.83 FDFT1 (0.41) LMNAHTTGAAALDH1A1TP53

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