SCHEMBL9839840

SCHEMBL9839840

CCCc1ccccc1CCc1ccccc1CCC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
ADRA2A P08913 2/20 0.43
LIPG Q9Y5X9 1/20 0.41
HTR1A P08908 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
DAO P14920 1/20 0.37
NISCH Q9Y2I1 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
SCHEMBL29488434 0.97 ADRA2B (0.44) ADRA2BADRA2CADRA2ALIPGHTR1A
SCHEMBL142479 0.97 ADRA2B (0.44) ADRA2BADRA2CADRA2ALIPGHTR1A
Benzene SCHEMBL11786397 0.94 KDM4E (0.44) ADRA2BADRA2CADRA2ALIPGHTR1A
Hydrogen Peroxide SCHEMBL29092952 0.91 LIPG (0.45) ADRA2BADRA2CADRA2ALIPGHTR1A
SCHEMBL9276351 0.88 LIPG (0.54) ADRA2BADRA2CADRA2ALIPGPPARG
SCHEMBL31613870 0.88 GABRA1 (0.46) ADRA2BADRA2CADRA2ALIPGPPARG
SCHEMBL327380 0.88 GABRA1 (0.46) ADRA2BADRA2CADRA2ALIPGPPARG
SCHEMBL5437047 0.88 HTR2A (0.43) ADRA2BADRA2CADRA2ALIPGHTR1A
SCHEMBL6546789 0.87 HTR1A (0.48) HTR1AKDM4EALDH1A1HPGD
SCHEMBL5357567 0.86 ADRA2B (0.40) ADRA2BADRA2CADRA2ALIPGHTR1A

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