SCHEMBL7467182

SCHEMBL7467182

Cc1ccc(NC(=O)Nc2ccc(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(C(=O)O)c3ccc(C(=O)O)cc3)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ITGB1 P05556 11/20 0.40
ITGA4 P13612 11/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
FPR2 P25090 1/20 0.39
MAPT P10636 2/20 0.38
ANPEP P15144 1/20 0.37

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
SCHEMBL7468077 1.00 DGAT1 (0.45) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL7467449 0.88 ATM (0.43) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL7466878 0.88 ATM (0.43) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL7468071 0.86 ITGB1 (0.44) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL7473206 0.80 ATM (0.45) MEN1KMT2AITGB1ITGA4
SCHEMBL7468535 0.80 ATM (0.45) MEN1KMT2AITGB1ITGA4
SCHEMBL7470973 0.80 ANPEP (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7214822 0.80 ANPEP (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7463043 0.77 RAB9A (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7467296 0.77 RAB9A (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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