SCHEMBL7665223

SCHEMBL7665223

CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 10/20 0.42
ELANE P08246 2/20 0.41
CTSG P08311 1/20 0.41
CASP1 P29466 1/20 0.41
CTSL P07711 1/20 0.40
PSMB5 P28074 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5711388 0.92 CMA1 (0.43) CMA1ELANECTSGPSMB5
SCHEMBL5711265 0.91 ELANE (0.43) CMA1ELANECTSG
SCHEMBL5711237 0.88 ELANE (0.49) CMA1ELANE
SCHEMBL5711206 0.87 CMA1 (0.51) CMA1ELANECTSG
SCHEMBL5711224 0.87 CMA1 (0.48) CMA1ELANECTSG
SCHEMBL7655849 0.86 CTSD (0.46) PSMB5
SCHEMBL7666940 0.85 CAPN1 (0.50) CMA1CTSLALDH1A1
SCHEMBL5711319 0.85 CAPN1 (0.50) CMA1CTSLALDH1A1
SCHEMBL5711366 0.84 CMA1 (0.58) CMA1MEN1KMT2A
SCHEMBL5711172 0.83 TACR1 (0.47) CMA1ELANECTSG

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-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