SCHEMBL8316805

SCHEMBL8316805

CC(C)(C)OC(=O)CSc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCND1 P24385 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 4/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 8/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MIF P14174 1/20 0.38
FBP1 P09467 1/20 0.37

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
SCHEMBL6703333 0.82 KMT2A (0.53) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL4398615 0.79 ALDH1A1 (0.54) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL19403467 0.77 ALDH1A1 (0.52) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL1121674 0.76 NPC1 (0.53) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL11736051 0.75 L3MBTL1 (0.54) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL29740011 0.74 PPARA (0.55) PPARGCTSSCTSK
SCHEMBL28656119 0.74 PPARA (0.55) PPARGCTSSCTSK
SCHEMBL2213224 0.74 HPGD (0.56) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL7867128 0.73 FFAR1 (0.55) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL8639480 0.73 NPC1 (0.50) NPC1RAB9AHPGDMAPTALDH1A1

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-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 WO disclosed