SCHEMBL7326409

SCHEMBL7326409

CCOC(=O)C(Cc1cccc(NS(C)(=O)=O)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.50
ITGAV P06756 1/20 0.50
TACR1 P25103 3/20 0.48
CTSL P07711 4/20 0.47
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
CTSB P07858 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
TYR P14679 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
MGLL Q99685 1/20 0.45
CTRB1 P17538 1/20 0.45

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
SCHEMBL7323268 1.00 ITGB3 (0.50) ITGB3ITGAVTACR1CTSLCTSS
SCHEMBL7330763 0.90 ITGB3 (0.57) ITGB3ITGAVTACR1CTSLCTSS
SCHEMBL7330756 0.90 ITGB3 (0.57) ITGB3ITGAVTACR1CTSLCTSS
SCHEMBL1824920 0.83 CTSL (0.48) ITGB3ITGAVTACR1CTSLCTSS
SCHEMBL6440663 0.83 CTSL (0.64) TACR1CTSLCTSSCTSKCTSB
SCHEMBL6440666 0.83 CTSL (0.64) TACR1CTSLCTSSCTSKCTSB
SCHEMBL5403293 0.80 GPR132 (0.56) ITGB3ITGAV
SCHEMBL27509468 0.80 GPR132 (0.56) ITGB3ITGAV
SCHEMBL1826528 0.80 P2RX7 (0.53) CTSLCTSSCTSB
SCHEMBL6768390 0.79 ITGB3 (0.57) ITGB3ITGAVTACR1CTSLCTSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658169-A1 DIAMINO ACID DERIVATIVES AS ANTIHYPERTENSIVES SCHERING CORPORATION (US) 1995-06-21 EP disclosed
US-5298492-A Inhibitors of endopeptidase and treatment of cardiovascular disorders SCHERING CORPORATION (US) 1994-03-29 US disclosed
WO-1994003481-A1 DIAMINO ACID DERIVATIVES AS ANTIHYPERTENSIVES SCHERING CORPORATION (US) 1994-02-17 WO disclosed