SCHEMBL10466613

SCHEMBL10466613

CCOC(=O)[C@@H](CSC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.59
CTSK P43235 5/20 0.59
CTSB P07858 2/20 0.59
CTSL P07711 2/20 0.59
REN P00797 5/20 0.53
AKT1 P31749 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
ACE P12821 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50

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
SCHEMBL3699589 0.92 CTSS (0.57) CTSSCTSKCTSBCTSLREN
SCHEMBL7620073 0.92 CTSS (0.57) CTSSCTSKCTSBCTSLREN
SCHEMBL29193585 0.91 CTSS (0.61) CTSSCTSKCTSBCTSLREN
SCHEMBL9831759 0.89 CTSS (0.64) CTSSCTSKCTSBCTSLREN
SCHEMBL1273042 0.87 CTSS (0.64) CTSSCTSKCTSBCTSLAKT1
SCHEMBL12122453 0.87 CTSS (0.64) CTSSCTSKCTSBCTSLAKT1
SCHEMBL28766315 0.87 CTSS (0.59) CTSSCTSKCTSBCTSLREN
SCHEMBL29651454 0.87 CTSS (0.59) CTSSCTSKCTSBCTSLREN
SCHEMBL28766316 0.87 CTSS (0.59) CTSSCTSKCTSBCTSLREN
SCHEMBL9011112 0.87 REN (0.66) CTSSCTSKCTSBCTSLREN

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4940709-A PLATELET ACTIVATING FACTOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-10 US disclosed
EP-0181152-B1 PIPERAZINE COMPOUND AS PAF-ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-13 EP disclosed
US-4806538-A ANTICOAGULANT, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-02-21 US disclosed
EP-0181152-A1 Piperazine compound as PAF-antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed