SCHEMBL9839848

SCHEMBL9839848

CCCc1ccc(CCc2ccc(CCC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.59
LIPG Q9Y5X9 2/20 0.59
CA2 P00918 1/20 0.54
MGLL Q99685 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
PLK1 P53350 1/20 0.50
THRB P10828 2/20 0.48
ESR1 P03372 3/20 0.47
GFER P55789 1/20 0.47
ESR2 Q92731 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44

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
SCHEMBL142480 0.96 LPL (0.62) LPLLIPGCA2MGLLCNR1
SCHEMBL10452062 0.91 LPL (0.52) LPLLIPGCA2MGLLCNR1
SCHEMBL6546987 0.88 CYP1A2 (0.56) LPLLIPGCA2MGLLCNR1
SCHEMBL6546791 0.88 MAOA (0.56) LPLLIPGCNR2TAAR1ALDH1A1
Hydroxyamine SCHEMBL17181093 0.87 LPL (0.61) LPLLIPGCA2MGLLCNR1
SCHEMBL2494578 0.87 LPL (0.54) LPLLIPGCA2MGLLCNR1
SCHEMBL11154258 0.87 TAAR1 (0.62) LPLLIPGCA2MGLLCNR1
SCHEMBL327381 0.87 TAAR1 (0.62) LPLLIPGCA2MGLLCNR1
SCHEMBL10567097 0.87 ESR1 (0.58) LPLLIPGCA2MGLLESR1
SCHEMBL4802707 0.87 LPL (0.54) LPLLIPGCA2MGLLCNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290050-B1 METHOD FOR PRODUCING ALKYLSTYRENE NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-08-21 EP disclosed
US-5026939-A Cracking 1,2-di(4-isobutylphenyl)ethane in contact with acid catalyst NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-06-25 US disclosed
EP-0290050-A1 Method for producing alkylstyrene NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-11-09 EP disclosed