SCHEMBL4045022

SCHEMBL4045022

CCCC(NC(=O)Oc1cc2ccccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.35
PREP P48147 2/20 0.34
FAP Q12884 2/20 0.34
STAT6 P42226 1/20 0.33
ELANE P08246 1/20 0.32
CTSL P07711 4/20 0.31
CTSS P25774 4/20 0.31
CTSB P07858 2/20 0.31
AADAT Q8N5Z0 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
CTSV O60911 1/20 0.31

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
SCHEMBL4037997 0.93 CTSK (0.40) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4045509 0.91 PREP (0.33) CTSKPREPFAPELANEKMT2A
SCHEMBL4043984 0.90 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045026 0.89 CTSK (0.36) CTSKPREPFAPELANECTSL
SCHEMBL4038257 0.88 PREP (0.34) CTSKPREPFAPELANEKMT2A
SCHEMBL4040719 0.88 SMYD3 (0.35) CTSKPREPFAPCTSSCTSB
SCHEMBL4043203 0.88 CTSK (0.35) CTSKPREPFAPSTAT6CTSL
SCHEMBL4042306 0.88 MMP8 (0.37) CTSKPREPFAPELANECTSS
SCHEMBL4044090 0.88 CTSK (0.34) CTSKPREPFAPELANEKMT2A
SCHEMBL4048824 0.87 CTSK (0.37) CTSKPREPFAPCTSLCTSS

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
EP-1380342-B1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL CO (JP) 2009-07-01 EP disclosed
US-6995110-B2 Complex catalyst, process for producing the complex catalyst, and process for producing alcohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-07 US disclosed
US-20040077487-A1 Complex catalyst, process for producing the complex catalyst, and process for producing alchohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1380342-A1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-01-14 EP disclosed