SCHEMBL7667642

SCHEMBL7667642

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C(c2ccccc2)SC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 14/20 0.51
ELANE P08246 2/20 0.47
CTSG P08311 1/20 0.47
CCR1 P32246 1/20 0.44
CTRC Q99895 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
SCHEMBL7661700 0.91 CMA1 (0.58) CMA1ELANECTSGCTRC
SCHEMBL7661080 0.90 CCR1 (0.46) CMA1ELANECCR1
SCHEMBL7660620 0.88 CTSD (0.45) CMA1ELANECCR1
SCHEMBL7665870 0.85 CTSD (0.46) CMA1CCR1
SCHEMBL7669892 0.84 CCR1 (0.47) ELANECCR1
SCHEMBL7670856 0.84 CCR1 (0.52) ELANECCR1
SCHEMBL7665212 0.84 F2 (0.42) CMA1ELANECCR1
SCHEMBL7662788 0.83 CMA1 (0.56) CMA1ELANECTSGCTRC
SCHEMBL7662793 0.83 CMA1 (0.56) CMA1ELANECTSGCTRC
SCHEMBL7665808 0.83 CAPN1 (0.41) CMA1CCR1

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 1 patent. 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