SCHEMBL6239722

SCHEMBL6239722

CCc1ccc(CCN(CCc2ccc(CC)cc2)C(=O)c2cc(C(=O)O)ccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 7/20 0.49
KDM5A P29375 5/20 0.49
KDM5C P41229 5/20 0.49
KDM4C Q9H3R0 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM6B O15054 3/20 0.49
KDM4A O75164 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
KDM2A Q9Y2K7 2/20 0.49
KDM3A Q9Y4C1 2/20 0.49
ALKBH5 Q6P6C2 2/20 0.49
FTO Q9C0B1 2/20 0.49
TET3 O43151 1/20 0.49
BBOX1 O75936 1/20 0.49
ASPH Q12797 1/20 0.49
KDM4D Q6B0I6 1/20 0.49
TET2 Q6N021 1/20 0.49
KDM7A Q6ZMT4 1/20 0.49
KDM8 Q8N371 1/20 0.49

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
SCHEMBL6239726 0.92 ALDH1A1 (0.46) KDM5BKDM5AKDM5CKDM4CALDH1A1
SCHEMBL6985928 0.90 KDM5B (0.49) KDM5BKDM5AKDM5CKDM4CALDH1A1
SCHEMBL6235516 0.87 KDM4C (0.49) KDM5BKDM5AKDM5CKDM4CALDH1A1
SCHEMBL6990109 0.86 LPAR1 (0.53) KDM5BKDM5AKDM5CKDM4CALDH1A1
SCHEMBL3854386 0.84 KDM5B (0.57) KDM5BKDM5AKDM5CKDM4CALDH1A1
SCHEMBL6993029 0.82 ALDH1A1 (0.48) KDM5BKDM5AKDM5CKDM4CALDH1A1
SCHEMBL6985934 0.82 MAPT (0.43) KDM5BKDM5AKDM5CKDM4CALDH1A1
SCHEMBL6989792 0.81 MEN1 (0.45) KDM5BKDM5AKDM5CKDM4CALDH1A1
SCHEMBL5808530 0.81 ALDH1A1 (0.65) KDM5BKDM5AKDM5CKDM4CALDH1A1
SCHEMBL6985000 0.81 KDM4C (0.50) KDM5BKDM5AKDM5CKDM4CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530467-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
WO-2004006912-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed