SCHEMBL1728341

SCHEMBL1728341

C=CC[C@H]1C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N1OC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.34
ABCB1 P08183 1/20 0.34
F2 P00734 2/20 0.33
ELANE P08246 2/20 0.33
CTSG P08311 1/20 0.33
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL1728421 1.00 RIPK1 (0.34) RIPK1ABCB1F2ELANECTSG
SCHEMBL1728236 1.00 RIPK1 (0.34) RIPK1ABCB1F2ELANECTSG
SCHEMBL6063849 0.83 ABCB1 (0.44) RIPK1ABCB1F2ELANECTSG
SCHEMBL18109310 0.75 ABCB1 (0.43) RIPK1ABCB1F2ELANECTSG
SCHEMBL19461110 0.75 ABCB1 (0.43) RIPK1ABCB1F2ELANECTSG
SCHEMBL18109311 0.75 ABCB1 (0.43) RIPK1ABCB1F2ELANECTSG
SCHEMBL6063753 0.75 ELANE (0.36) RIPK1F2ELANECTSGALDH1A1
SCHEMBL6063582 0.75 ELANE (0.36) RIPK1F2ELANECTSGALDH1A1
SCHEMBL8295855 0.73 ABCB1 (0.44) RIPK1ABCB1F2ELANECTSG
SCHEMBL1729949 0.71 USP2 (0.37) RIPK1ABCB1ELANEALDH1A1TSHR

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-1651653-B1 NOVEL CYANO THIAZOLIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-23 EP disclosed
EP-1651653-A1 NOVEL CYANO THIAZOLIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2006-05-03 EP disclosed
WO-2005012312-A1 NOVEL CYANO THIAZOLIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-10 WO disclosed