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Sugi Predict / Compounds / SCHEMBL9978045

SCHEMBL9978045

SCHEMBL9978045

CC(C)(C(=O)NCCCSc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.48
▸ CNR2 P34972 2/20 0.48
▸ PPARD Q03181 9/20 0.46
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9937741 0.94 CNR1 (0.50) CNR1CNR2PPARDALDH1A1
SCHEMBL9978217 0.85 CNR1 (0.50) CNR1CNR2PPARDL3MBTL1ALDH1A1
SCHEMBL9937870 0.85 POLB (0.51) CNR1CNR2PPARDPOLB
SCHEMBL9978177 0.84 PPARD (0.52) CNR1CNR2PPARDKMT2AL3MBTL1
SCHEMBL9978092 0.83 CNR1 (0.55) CNR1CNR2PPARDKMT2APOLB
SCHEMBL9978214 0.83 CNR2 (0.48) CNR1CNR2PPARDPOLB
SCHEMBL9978037 0.83 CNR1 (0.51) CNR1CNR2PPARDKMT2AL3MBTL1
SCHEMBL9978036 0.83 MTNR1A (0.47) CNR1CNR2PPARDALDH1A1POLB
SCHEMBL9978071 0.83 CNR1 (0.53) CNR1CNR2PPARDPOLB
SCHEMBL9978149 0.83 CNR1 (0.53) CNR1CNR2PPARDALDH1A1POLB

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-2012079164-A1 ACTIVATORS OF CYLINDRICAL PROTEASES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 — — WO disclosed