SCHEMBL7467339

SCHEMBL7467339

COc1cc(CC(=O)N[C@@H](CCSC)C(=O)NCC(C(=O)O)c2ccc3c(c2)OCO3)ccc1NC(=O)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
CTSD P07339 3/20 0.40
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 1/20 0.39
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
PGGT1B P53609 2/20 0.38
RAB9A P51151 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
SCHEMBL7461109 1.00 KMT2A (0.45) KMT2AITGB1ITGA4CTSDMEN1
SCHEMBL7467442 0.90 KMT2A (0.49) KMT2AITGB1ITGA4CTSDMEN1
SCHEMBL7466308 0.89 ITGB1 (0.46) KMT2AITGB1ITGA4CTSDMEN1
SCHEMBL7466040 0.89 ITGB1 (0.46) KMT2AITGB1ITGA4CTSDMEN1
SCHEMBL7461541 0.88 KMT2A (0.42) KMT2AITGB1ITGA4CTSDMEN1
SCHEMBL7467419 0.87 NPC1 (0.49) KMT2AITGB1ITGA4RAB9A
SCHEMBL7465207 0.84 RAB9A (0.48) KMT2AMEN1RAB9A
SCHEMBL7464092 0.84 RAB9A (0.48) KMT2AMEN1RAB9A
SCHEMBL7213313 0.83 ITGB1 (0.52) KMT2AITGB1ITGA4CTSDTP53
SCHEMBL7457312 0.81 MAPK1 (0.46) ALDH1A1MAPK1FNTAFNTBPGGT1B

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