Sugi Predict

Sugi Predict / Compounds / SCHEMBL4040754

SCHEMBL4040754

SCHEMBL4040754

CC(C)CC(NC(=O)Oc1cc2ccccc2o1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 15/20 0.40
▸ CTSL P07711 13/20 0.40
▸ CTSS P25774 9/20 0.40
▸ CTSB P07858 3/20 0.40
▸ CTSV O60911 2/20 0.40
▸ CHRNB2 P17787 3/20 0.36
▸ CHRNA7 P36544 3/20 0.36
▸ CHRNA4 P43681 3/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL4046863 0.93 SMYD3 (0.35) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046703 0.92 CHRNB2 (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043843 0.90 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043180 0.89 CHRNB2 (0.42) CTSKCHRNB2CHRNA7CHRNA4
SCHEMBL4045633 0.88 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4051812 0.88 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4050147 0.88 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4042383 0.87 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044807 0.87 CTSK (0.39) CTSKCTSLCTSSCTSB
SCHEMBL4042904 0.87 CTSK (0.39) CTSKCTSLCTSSCTSB

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
WO-2009027732-A1 5-6-BICYCLIC HETEROAROMATIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2009-03-05 — — WO disclosed