SCHEMBL3281671

SCHEMBL3281671

CCC(=O)Cc1ccc(N2CCCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 8/20 0.50
TP53 P04637 4/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
NR4A1 P22736 1/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GFER P55789 1/20 0.49
CNR2 P34972 2/20 0.48
HPGD P15428 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL2202524 1.00 HTT (0.56) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL15551034 0.88 MAPT (0.56) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3912933 0.85 MAPT (0.53) SMN1; SMN2RAB9AMAPTALDH1A1LMNA
SCHEMBL28168696 0.81 MAPT (0.50) SMN1; SMN2RAB9AMAPTALDH1A1LMNA
SCHEMBL2282564 0.81 ITGB3 (0.62) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13855699 0.81 ITGB3 (0.62) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11190153 0.81 MAPT (0.54) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11872337 0.80 MAPT (0.54) HTTSMN1; SMN2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL9679970 0.79 ITGB3 (0.60) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2440672 0.79 NPC1 (0.54) HTTSMN1; SMN2NPC1RAB9AMAPT

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
US-8987362-B2 Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents BRIDGESTONE CORP (JP) 2015-03-24 US disclosed
US-20140100339-A1 FUNCTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS JSR CORPORATION (JP) 2014-04-10 US disclosed
US-20100087586-A1 RUBBER COMPOSITION FOR SIDE RUBBER AND HEAVY DUTY PNEUMATIC RADIAL TIRE USING THE SAME BRIDGESTONE CORPORATION (JP) 2010-04-08 US disclosed
EP-2067819-A1 RUBBER COMPOSITION FOR SIDE RUBBER AND PNEUMATIC RADIAL TIRE FOR HEAVY LOAD USING THE SAME Bridgestone Corporation (JP) 2009-06-10 EP disclosed