SCHEMBL7434646

SCHEMBL7434646

O=C(OCc1ccccc1)c1ncoc1CCNC(=O)[C@H](Cc1cccs1)N[C@@H](CCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.37
ADAM17 P78536 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TPSAB1 Q15661 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7434571 0.94 ADAM17 (0.37) ADAM17SMN1; SMN2PRSS1PRSS2PRSS3
SCHEMBL7433554 0.91 CTSL (0.40) SMN1; SMN2CTSBCTSSCTSKPOLB
SCHEMBL7444104 0.87 CTSK (0.46) SMN1; SMN2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL7435520 0.79 MME (0.41) ADAM17KMT2ATSHR
SCHEMBL7428167 0.79 MMP8 (0.43) SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL7341910 0.77 MEN1 (0.42) ADAM17SMN1; SMN2POLBALDH1A1MAPT
SCHEMBL7433267 0.77 CTSL (0.54) CTSBCTSSCTSK
SCHEMBL7434588 0.77 PPARG (0.36) CYP2C9CYP2C19CTSBCTSSPOLB
SCHEMBL7351604 0.76 MMP8 (0.39) CYP2C9CYP2C19KMT2A
SCHEMBL7432459 0.76 CHRNB2 (0.38) CYP2C9CYP2C19CTSBCTSSALDH1A1

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