SCHEMBL7466878

SCHEMBL7466878

COc1ccc(C(CNC(=O)[C@H](CC(C)C)NC(=O)Cc2ccc(NC(=O)Nc3ccc(C)cn3)cc2)C(=O)O)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
EPHX2 P34913 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ITGB1 P05556 6/20 0.39
ITGA4 P13612 6/20 0.39
DGAT1 O75907 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 1/20 0.38
ANPEP P15144 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL7467449 1.00 ATM (0.43) ATMEPHX2MAPTMEN1KMT2A
SCHEMBL7473206 0.92 ATM (0.45) ATMEPHX2MEN1KMT2AITGB1
SCHEMBL7468535 0.92 ATM (0.45) ATMEPHX2MEN1KMT2AITGB1
SCHEMBL7467208 0.89 ITGB1 (0.42) ATMMAPTMEN1KMT2AITGB1
SCHEMBL7465560 0.89 ITGB1 (0.42) ATMMAPTMEN1KMT2AITGB1
SCHEMBL7467182 0.88 DGAT1 (0.45) MAPTMEN1KMT2AITGB1ITGA4
SCHEMBL7468077 0.88 DGAT1 (0.45) MAPTMEN1KMT2AITGB1ITGA4
SCHEMBL7467434 0.87 ITGB1 (0.50) ATMEPHX2MAPTMEN1KMT2A
SCHEMBL7467373 0.86 ATM (0.46) ATMMEN1KMT2AITGB1ITGA4
SCHEMBL7463616 0.83 ITGB1 (0.45) ATMMAPTMEN1KMT2AITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed