SCHEMBL1139684

SCHEMBL1139684

N#CC1(C(N)=O)CC1[C@]1(C(=O)O)C[C@@H](S(=O)(=O)c2ccccc2Cl)C[C@H]1OCc1ccc(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.40
CTSS P25774 14/20 0.38
CTSB P07858 3/20 0.36
CTSK P43235 1/20 0.33

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
SCHEMBL1139464 1.00 CTSL (0.40) CTSLCTSSCTSBCTSK
SCHEMBL1139795 0.91 CTSL (0.38) CTSLCTSSCTSBCTSK
SCHEMBL1139448 0.91 CTSL (0.38) CTSLCTSSCTSBCTSK
SCHEMBL1139855 0.91 CTSS (0.36) CTSLCTSSCTSB
SCHEMBL1139610 0.91 CTSS (0.36) CTSLCTSSCTSB
SCHEMBL1139212 0.89 CTSS (0.39) CTSLCTSSCTSB
SCHEMBL1139726 0.89 CTSS (0.39) CTSLCTSSCTSB
SCHEMBL1139986 0.88 GRM2 (0.36) CTSLCTSSCTSB
SCHEMBL1139553 0.88 GRM2 (0.36) CTSLCTSSCTSB
SCHEMBL1139658 0.86 GRM2 (0.40) CTSLCTSSCTSB

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-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US claimed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US disclosed