SCHEMBL9816671

SCHEMBL9816671

CCCc1cccc(CC(C)Cl)c1CC(C)Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
DAO P14920 1/20 0.31
ALOX5 P09917 1/20 0.30
PTGS2 P35354 1/20 0.30
IAPP P10997 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
ADRA2A P08913 2/20 0.30
ADRA2B P18089 2/20 0.30
ADRA2C P18825 2/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL672659 0.88 GABRA1 (0.41) GABRA1GABRB2SLC6A2SLC6A4SLC6A3
SCHEMBL9466227 0.87
SCHEMBL9466210 0.85 GABRA1 (0.40) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL9466818 0.75 ADRA2A (0.34) GABRA1GABRB2PPARGPPARAALOX5
SCHEMBL9466697 0.73 CA2 (0.36) GABRA1GABRB2
SCHEMBL1452942 0.73 ALDH1A1 (0.41) GABRA1GABRB2DAOALOX5PTGS2
SCHEMBL673323 0.73 GABRA1 (0.41) GABRA1GABRB2ADRA2AHTR1ASLC6A2
SCHEMBL9465676 0.71 CD274 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL28301638 0.70 GABRA1 (0.68) GABRA1GABRB2ALOX5PTGS2IAPP
SCHEMBL19289770 0.69 GABRA1 (0.50) GABRA1GABRB2ADRA2AADRA2BADRA2C

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
EP-0451679-A2 Method of producing polymers NIPPON ZEON CO., LTD. (JP) 1991-10-16 EP disclosed