SCHEMBL7439231

SCHEMBL7439231

CCOC(=O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.58
POLB P06746 1/20 0.55
MMP8 P22894 1/20 0.55
CTSL P07711 2/20 0.50
ELANE P08246 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
ACE P12821 1/20 0.50
HPRT1 P00492 1/20 0.50
TP53 P04637 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MBTPS1 Q14703 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPT P10636 1/20 0.48
S1PR1 P21453 1/20 0.48

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
SCHEMBL10420650 0.92 TACR1 (0.57) TACR1POLBCTSLCTSBCTSS
SCHEMBL10969556 0.92 TACR1 (0.53) TACR1POLBMMP8CTSLELANE
SCHEMBL1849290 0.89 MMP8 (0.56) TACR1POLBMMP8ELANEHPRT1
SCHEMBL9773257 0.89 ACE (0.51) TACR1ACE
SCHEMBL9773262 0.89 ACE (0.51) TACR1ACE
SCHEMBL9773259 0.89 ACE (0.51) TACR1ACE
SCHEMBL5869726 0.88 FOLH1 (0.51) TACR1CTSLCTSBCTSKACE
SCHEMBL5870079 0.88 CTSK (0.48) TACR1POLBCTSLCTSBCTSK
SCHEMBL5869730 0.88 FOLH1 (0.51) TACR1CTSLCTSBCTSKACE
SCHEMBL5870077 0.88 CTSK (0.48) TACR1POLBCTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5312826-A Dicarboxylic acids with hypotensive agents and cardiovascular disorders TANABE SEIYAKU CO., LTD. (JP) 1994-05-17 US disclosed
EP-0519738-A1 Dicarboxylic acid derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-12-23 EP disclosed