SCHEMBL5711290

SCHEMBL5711290

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRSS8 Q16651 2/20 0.49
ELANE P08246 11/20 0.47
CTSS P25774 5/20 0.45
CAPN1 P07384 2/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL5711269 0.91 CMA1 (0.49) ELANECTSS
SCHEMBL5711332 0.85 CAPN1 (0.46) CTSSCAPN1CYP3A4
SCHEMBL7670720 0.85 PRSS8 (0.47) PRSS8ELANECTSSCYP3A4CYP2C9
SCHEMBL7668441 0.85 CAPN1 (0.44) ELANECAPN1CYP3A4
SCHEMBL5711190 0.85 CAPN1 (0.45) CAPN1CYP3A4
SCHEMBL5711291 0.83 CAPN1 (0.44) CAPN1CYP3A4
SCHEMBL5711319 0.83 CAPN1 (0.50) CAPN1CYP3A4
SCHEMBL7666940 0.83 CAPN1 (0.50) CAPN1CYP3A4
SCHEMBL5711275 0.81 PRSS8 (0.45) PRSS8CTSSCYP3A4CYP2C9
SCHEMBL7662793 0.81 CMA1 (0.56) ELANECAPN1

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