SCHEMBL7472840

SCHEMBL7472840

COc1cc(CC(=O)N[C@@H](CCSC)C(=O)NC[C@@H](C(=O)O)c2ccc(OC)c(OC)c2)ccc1NC(=O)Nc1ccc(C)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
CHEK1 O14757 3/20 0.37
USP2 O75604 1/20 0.37
EPHX2 P34913 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.36
DRD1 P21728 1/20 0.36
CTSD P07339 1/20 0.36
LMNA P02545 2/20 0.36
ATM Q13315 2/20 0.36

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
SCHEMBL7461541 0.90 KMT2A (0.42) MEN1KMT2AITGB1ITGA4CHEK1
SCHEMBL7473206 0.90 ATM (0.45) MEN1KMT2AITGB1ITGA4CHEK1
SCHEMBL7468535 0.90 ATM (0.45) MEN1KMT2AITGB1ITGA4CHEK1
SCHEMBL7471806 0.90 KMT2A (0.43) MEN1KMT2AITGB1ITGA4CHEK1
SCHEMBL7471656 0.90 KMT2A (0.43) MEN1KMT2AITGB1ITGA4CHEK1
SCHEMBL7466040 0.86 ITGB1 (0.46) MEN1KMT2AITGB1ITGA4CTSD
SCHEMBL7466308 0.86 ITGB1 (0.46) MEN1KMT2AITGB1ITGA4CTSD
SCHEMBL7467449 0.82 ATM (0.43) MEN1KMT2AITGB1ITGA4EPHX2
SCHEMBL7466878 0.82 ATM (0.43) MEN1KMT2AITGB1ITGA4EPHX2
SCHEMBL7470798 0.82 RAB9A (0.42) MEN1KMT2AITGB1ITGA4RAB9A

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