SCHEMBL6217839

SCHEMBL6217839

CCOC(=O)OC1Nc2ccc(Cl)cc2C2C=CCC12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.57
POLB P06746 9/20 0.53
KMT2A Q03164 9/20 0.53
MEN1 O00255 8/20 0.53
PTPN7 P35236 8/20 0.53
HSPA1A P0DMV8 7/20 0.53
L3MBTL1 Q9Y468 6/20 0.53
MAPT P10636 5/20 0.53
ALDH1A1 P00352 5/20 0.53
GAPDH P04406 4/20 0.53
GAA P10253 4/20 0.53
HPGD P15428 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALOX15 P16050 2/20 0.53
BRCA1 P38398 2/20 0.53
RECQL P46063 2/20 0.53
BLM P54132 2/20 0.53
HSD17B10 Q99714 2/20 0.53
NR4A1 P22736 2/20 0.53
MASP2 O00187 2/20 0.53

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
SCHEMBL6217040 0.84 CDC25B (0.68) CDC25BPOLBKMT2AMEN1PTPN7
SCHEMBL6215376 0.83 POLB (0.77) CDC25BPOLBKMT2AMEN1PTPN7
SCHEMBL6214303 0.81 GAPDH (0.57) POLBKMT2AMEN1PTPN7HSPA1A
SCHEMBL6675758 0.78 GAPDH (0.56) POLBKMT2AMEN1PTPN7HSPA1A
SCHEMBL15322145 0.74 AR (0.57) CDC25BPOLBKMT2AMEN1PTPN7
SCHEMBL15322565 0.73 AR (0.54) CDC25BPOLBKMT2AMEN1PTPN7
SCHEMBL3610631 0.73 CDC25B (1.00) CDC25BPOLBKMT2AMEN1PTPN7
SCHEMBL10053590 0.71 POLB (0.80) CDC25BPOLBKMT2AMEN1PTPN7
SCHEMBL6949797 0.70 ABCC1 (0.39) ALDH1A1GAAHPGDKDM4ETP53
SCHEMBL23949487 0.69 KMT2A (1.00) CDC25BPOLBKMT2AMEN1PTPN7

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 7 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
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-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