SCHEMBL7660604

SCHEMBL7660604

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C(c2ccccc2)SC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)c1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.40
CAPN1 P07384 3/20 0.39
CCR1 P32246 2/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
ELANE P08246 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7668502 0.91 CMA1 (0.40)
SCHEMBL7665843 0.86 CTSD (0.41) CTSDCAPN1CCR1CTSLCTSB
SCHEMBL7670720 0.86 PRSS8 (0.47) ELANECYP3A4
SCHEMBL7661712 0.86 CTSD (0.40) CTSDCAPN1CCR1CTSLCTSB
SCHEMBL7668441 0.85 CAPN1 (0.44) CTSDCAPN1CCR1CTSLCTSB
SCHEMBL7669892 0.84 CCR1 (0.47) CTSDCAPN1CCR1CTSLCTSB
SCHEMBL7660620 0.83 CTSD (0.45) CTSDCAPN1CCR1CTSLCTSB
SCHEMBL7661037 0.83 CTSD (0.41) CTSDCAPN1CCR1CTSLCTSB
SCHEMBL7661080 0.79 CCR1 (0.46) CTSDCAPN1CCR1CTSLCTSB
SCHEMBL7670856 0.78 CCR1 (0.52) CTSDCAPN1CCR1CTSLCTSB

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