SCHEMBL19882154

SCHEMBL19882154

CCC(c1ccccc1SC)N(CC)C(=O)C(CC(C)C)NC(=O)NCc1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 10/20 0.52
▸ PPIG Q13427 4/20 0.52
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ ANPEP P15144 5/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PPIB P23284 2/20 0.40
▸ PPIA P62937 1/20 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
SCHEMBL2040765 0.69 PPID (1.00) PPIDPPIGCTSLCTSBCTSS
SCHEMBL14575948 0.69 PPIB (0.62) PPIDPPIGCTSLCTSBCTSS
SCHEMBL2038175 0.68 PPID (1.00) PPIDPPIGPPIBPPIA
SCHEMBL12643631 0.67 PPID (0.80) PPIDPPIGCTSLCTSBCTSS
SCHEMBL4139513 0.65 ANPEP (0.75) PPIDCTSLCTSBCTSSCTSK
SCHEMBL4770866 0.65 ANPEP (0.79) CTSLCTSBCTSSCTSKANPEP
SCHEMBL4770883 0.65 ANPEP (0.79) CTSLCTSBCTSSCTSKANPEP
SCHEMBL14576521 0.64 PPID (0.53) PPIDANPEPPPIB
SCHEMBL14575949 0.63 PPIB (0.50) PPIDPPIGCTSLCTSBCTSS
SCHEMBL19882151 0.62 ANPEP (0.49) PPIDCTSLCTSBCTSSCTSK

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
EP-2516387-B1 INHIBITORS OF CYCLOPHILINS FOR USE IN THE PREVENTION AND/OR THE TREATMENT OF VIRAL PATHOLOGIES OR INFECTIONS INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECH MÉDICALE (INSERM) (FR) 2018-02-21 — — EP disclosed
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