SCHEMBL6769792

SCHEMBL6769792

Cc1cc(C)c2c(c1C)O[C@@](C)(C(=O)N[C@H](C=O)Cc1ccccc1)C(O)C2

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 16/20 0.39
▸ CTSB P07858 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
SCHEMBL5680250 0.70 PTGS1 (0.54) CAPN1
SCHEMBL2369340 0.66 CAPN1 (0.61) CAPN1CTSB
SCHEMBL3292711 0.66 CAPN1 (0.61) CAPN1CTSB
SCHEMBL17865652 0.66 CAPN1 (0.61) CAPN1CTSB
SCHEMBL10705687 0.65 — —
SCHEMBL2266848 0.63 CAPN1 (0.58) CAPN1CTSB
SCHEMBL2269431 0.63 CAPN1 (0.58) CAPN1CTSB
SCHEMBL5563236 0.63 CAPN1 (0.58) CAPN1CTSB
SCHEMBL24862871 0.62 CAPN1 (0.73) CAPN1CTSB
SCHEMBL5491360 0.61 CAPN1 (0.53) CAPN1

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-6747024-B1 INHIBITING CALPAIN AND/OR REACTIVE OXYGEN SPECIES IN WARM-BLOODED ANIMALS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-06-08 — — US disclosed
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