SCHEMBL5403129

SCHEMBL5403129

C=CCc1ccccc1-c1cccc(CC=C)c1CC=C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.55
GABRB2 P47870 2/20 0.55
AKR1B1 P15121 1/20 0.42
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2362269 0.94 GABRA1 (0.61) GABRA1GABRB2AKR1B1ALDH1A1KDM4E
SCHEMBL29900352 0.87 GABRA1 (0.61) GABRA1GABRB2AKR1B1ALDH1A1KDM4E
SCHEMBL2362466 0.87 GABRA1 (0.61) GABRA1GABRB2AKR1B1ALDH1A1KDM4E
SCHEMBL9777394 0.87 GABRA1 (0.50) GABRA1GABRB2AKR1B1ALDH1A1KDM4E
SCHEMBL1646866 0.85 GABRA1 (0.49) GABRA1GABRB2AKR1B1ALDH1A1KDM4E
SCHEMBL2362467 0.85 GABRA1 (0.52) GABRA1GABRB2AKR1B1ALDH1A1KDM4E
SCHEMBL9777398 0.83 GABRA1 (0.46) GABRA1GABRB2AKR1B1ALDH1A1KDM4E
SCHEMBL18136 0.83 GABRA1 (0.56) GABRA1GABRB2AKR1B1ALDH1A1KDM4E
SCHEMBL251285 0.82 GABRA1 (0.42) GABRA1GABRB2AKR1B1ALDH1A1KDM4E
SCHEMBL28860555 0.80 FOLH1 (0.49) GABRA1GABRB2AKR1B1ALDH1A1LMNA

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-7205445-B2 Method of continuous production of polyalkylbiphenyls NIPPON PETROCHEMICALS, CO., LTD. (JP) 2007-04-17 US disclosed
US-20040073074-A1 Method of continuous production of polyalkylbiphenyls ENEOS CORPORATION (JP) 2004-04-15 US disclosed
JP-2004107328-A METHOD FOR CONTINUOUSLY PRODUCING POLYALKYLBIPHENYL NIPPON PETROCHEMICALS CO LTD 2004-04-08 JP disclosed
JP-2004091395-A METHOD FOR CONTINUOUSLY PRODUCING ALKYBIPHENYL NIPPON PETROCHEMICALS CO LTD 2004-03-25 JP disclosed