SCHEMBL18680264

SCHEMBL18680264

CC(=O)Cc1cccc2c1CC=C2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
IAPP P10997 1/20 0.33
CYP3A4 P08684 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH1 P35367 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
HTR3A P46098 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL6912491 0.80 GABRA1 (0.40) L3MBTL1SLC6A2HTR2ASLC6A4HRH1
SCHEMBL18826689 0.80 ALDH1A1 (0.41) L3MBTL1CYP3A4SLC6A2HTR2ASLC6A4
SCHEMBL30753431 0.76 HSP90AA1 (0.33)
SCHEMBL7189957 0.76 SLC6A2 (0.36) SLC6A2HTR2ASLC6A4HRH1OPRD1
SCHEMBL7185336 0.76 SLC6A2 (0.36) SLC6A2HTR2ASLC6A4HRH1OPRD1
SCHEMBL6912026 0.74 HTR2A (0.34) CYP3A4SLC6A2HTR2ASLC6A4HRH1
SCHEMBL21416136 0.73 L3MBTL1 (0.35) L3MBTL1IAPP
SCHEMBL18826690 0.73 ALDH1A1 (0.41) L3MBTL1SLC6A2HTR2ASLC6A4HRH1
SCHEMBL12319675 0.73 PNMT (0.42) SLC6A2HTR2ASLC6A4HRH1OPRD1
SCHEMBL12319674 0.73 SLC6A2 (0.35) SLC6A2HTR2ASLC6A4HRH1OPRD1

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-20170090286-A1 CONDUCTIVE POLYMER COMPOSITION, COATED ARTICLE, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-03-30 US disclosed