SCHEMBL5711291

SCHEMBL5711291

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.44
CYP3A4 P08684 2/20 0.44
F2 P00734 5/20 0.43
CMA1 P23946 4/20 0.43
F10 P00742 2/20 0.41
F11 P03951 2/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
CCR1 P32246 1/20 0.41
DPP4 P27487 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL5711368 0.90 CMA1 (0.51) F2CMA1MMP2MMP3MMP7
SCHEMBL5711332 0.87 CAPN1 (0.46) CAPN1CYP3A4CMA1MMP2MMP3
SCHEMBL5711190 0.85 CAPN1 (0.45) CAPN1CYP3A4F2CMA1CTSL
SCHEMBL5711319 0.85 CAPN1 (0.50) CAPN1CYP3A4CMA1CTSLCTSB
SCHEMBL7666940 0.85 CAPN1 (0.50) CAPN1CYP3A4CMA1CTSLCTSB
SCHEMBL7665212 0.85 F2 (0.42) CAPN1CYP3A4F2CMA1F10
SCHEMBL7663175 0.84 CYP3A4 (0.45) CAPN1CYP3A4CMA1CTSLCTSB
SCHEMBL5711290 0.83 PRSS8 (0.49) CAPN1CYP3A4
SCHEMBL7662793 0.83 CMA1 (0.56) CAPN1CMA1
SCHEMBL7662788 0.83 CMA1 (0.56) CAPN1CMA1

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-1103560-B1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-12-27 EP disclosed
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed
EP-1103560-A1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP disclosed