SCHEMBL8237024

SCHEMBL8237024

C=CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CTSK P43235 8/20 0.51
▸ CAPN1 P07384 1/20 0.50
▸ CAPN2 P17655 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.50
▸ CTSS P25774 3/20 0.49
▸ CTSL P07711 3/20 0.49
▸ CTSB P07858 1/20 0.48
▸ PSMB1 P20618 1/20 0.47
▸ PSMB5 P28074 1/20 0.47
▸ PSMB2 P49721 1/20 0.47
▸ KLK7 P49862 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.47

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
SCHEMBL5297597 1.00 MEN1 (0.53) MEN1RECQLKMT2ACTSKCAPN1
SCHEMBL8243065 0.92 MAPT (0.51) CTSKCTSSCTSLCTSBPSMB5
SCHEMBL5303063 0.92 MAPT (0.51) CTSKCTSSCTSLCTSBPSMB5
SCHEMBL21981385 0.84 CAPN1 (0.59) MEN1RECQLKMT2ACTSKCAPN1
SCHEMBL20669109 0.84 CTSK (0.58) MEN1RECQLKMT2ACTSKCAPN1
SCHEMBL21981287 0.84 CTSK (0.58) MEN1RECQLKMT2ACTSKCAPN1
SCHEMBL5307097 0.83 PTGER4 (0.56) CTSKSIRT5CTSSCTSLCTSB
SCHEMBL8242070 0.83 MAPT (0.59) CTSKCTSSCTSLCTSBPSMB5
SCHEMBL5302755 0.83 MAPT (0.59) CTSKCTSSCTSLCTSBPSMB5
SCHEMBL22834040 0.83 MAPT (0.59) CAPN1CAPN2KLK7KLK5

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
WO-2007027742-A2 SMALL MOLECULE INTEGRIN α2βl/GPIa-IIa ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-03-08 — — WO disclosed
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