SCHEMBL11043865

SCHEMBL11043865

C=CCCCC(CC#N)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.44
CTSS P25774 14/20 0.44
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40

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
SCHEMBL8357414 0.83 CTSK (0.61) CTSKCTSS
SCHEMBL25319648 0.83 CTSS (0.48) CTSKCTSSCTSLCTSB
SCHEMBL24249664 0.83 CTSK (0.46) CTSKCTSSCTSLCTSB
SCHEMBL25319652 0.83 CTSS (0.48) CTSKCTSSCTSLCTSB
SCHEMBL16286150 0.81 MEN1 (0.56) CTSKCTSSCTSLCTSB
SCHEMBL21902977 0.81 CTSK (0.40) CTSKCTSS
SCHEMBL21536097 0.81 CTSS (0.46) CTSKCTSSCTSLCTSB
SCHEMBL9073872 0.81 SYK (0.43) CTSKCTSSCTSLCTSB
SCHEMBL12602587 0.80 CTSK (0.59) CTSKCTSSCTSLCTSB
SCHEMBL28761290 0.80 CTSK (0.38) CTSK

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
EP-0037310-B1 SUBSTITUTED DEOXYADENOSINE DERIVATIVES MERRELL TORAUDE ET COMPAGNIE (FR) 1984-05-09 EP disclosed
EP-0037310-A1 Substituted deoxyadenosine derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1981-10-07 EP disclosed