SCHEMBL30001345

SCHEMBL30001345

COC(=O)[C@H](CNC(=O)CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 2/20 0.53
▸ ITGA5 P08648 2/20 0.53
▸ PRMT5 O14744 1/20 0.47
▸ WDR77 Q9BQA1 1/20 0.47
▸ KAT6A Q92794 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ MAPT P10636 5/20 0.37
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ CYP1A2 P05177 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
SCHEMBL23455521 1.00 ITGB1 (0.53) ITGB1ITGA5PRMT5WDR77KAT6A
SCHEMBL23455519 1.00 ITGB1 (0.53) ITGB1ITGA5PRMT5WDR77KAT6A
SCHEMBL23455393 0.95 ITGB1 (0.49) ITGB1ITGA5PRMT5WDR77KAT6A
SCHEMBL30001027 0.95 ITGB1 (0.49) ITGB1ITGA5PRMT5WDR77KAT6A
SCHEMBL23455394 0.95 ITGB1 (0.49) ITGB1ITGA5PRMT5WDR77KAT6A
SCHEMBL23455439 0.93 ITGB1 (0.64) ITGB1ITGA5PRMT5WDR77KAT6A
SCHEMBL28884201 0.92 ITGB1 (0.62) ITGB1ITGA5PRMT5WDR77KAT6A
SCHEMBL23455488 0.89 ITGB1 (0.52) ITGB1ITGA5PRMT5WDR77NPC1
SCHEMBL23455487 0.89 ITGB1 (0.52) ITGB1ITGA5PRMT5WDR77NPC1
SCHEMBL23455485 0.89 ITGB1 (0.52) ITGB1ITGA5PRMT5WDR77NPC1

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-4072541-A1 ALPHA-5 BETA-1 INHIBITORS The Regents of the University of California (US) 2022-10-19 — — EP disclosed
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