SCHEMBL29957322

SCHEMBL29957322

CC(C)(C)OC(=O)NC(C=O)c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.46
▸ CTSS P25774 4/20 0.46
▸ ALOX5 P09917 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ PTPRB P23467 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ MIF P14174 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34

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
SCHEMBL12066891 0.87 ALOX5 (0.42) CTSKCTSSALOX5CHRNB2CHRNB4
SCHEMBL19348989 0.81 CTSK (0.52) CTSKCTSSATMMAPT
SCHEMBL4715202 0.81 CTSK (0.52) CTSKCTSSATMMAPT
SCHEMBL10896010 0.81 CTSK (0.52) CTSKCTSSATMMAPT
SCHEMBL29958333 0.80 ALOX5 (0.44) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13455984 0.80 ALOX5 (0.39) CTSKCTSSALOX5CHRNB2CHRNB4
SCHEMBL18216566 0.80 CTSK (0.46) CTSKCTSSATMPTPRBMAPT
SCHEMBL13536928 0.80 CTSK (0.46) CTSKCTSSATMPTPRBMAPT
SCHEMBL13920479 0.79 MIF (0.48) CTSKCTSSATMMAPTCA1
SCHEMBL3648561 0.78 CTSS (0.49) CTSKCTSSALOX5ATMPTPRB

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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