SCHEMBL5406246

SCHEMBL5406246

C=CCc1cccc(-c2cc(CC=C)cc(CC=C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
XDH P47989 1/20 0.44
ALDH1A1 P00352 5/20 0.42
GABRA1 P14867 5/20 0.42
GABRB2 P47870 5/20 0.42
MAPT P10636 3/20 0.42
CNR2 P34972 3/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
CNR1 P21554 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH2 P05091 1/20 0.42
AKR1B1 P15121 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PPARA Q07869 1/20 0.40
TNKS O95271 1/20 0.40

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
SCHEMBL29383868 0.94 PTGS2 (0.57) PTGS2XDHALDH1A1GABRA1GABRB2
SCHEMBL29477070 0.94 PTGS2 (0.57) PTGS2XDHALDH1A1GABRA1GABRB2
SCHEMBL5393111 0.94 PTGS2 (0.57) PTGS2XDHALDH1A1GABRA1GABRB2
SCHEMBL10454666 0.91 PTGS2 (0.50) PTGS2XDHALDH1A1GABRA1GABRB2
SCHEMBL5629303 0.88 PTGS2 (0.60) PTGS2XDHALDH1A1GABRA1GABRB2
SCHEMBL1325860 0.87 XDH (0.54) PTGS2XDHALDH1A1GABRA1GABRB2
SCHEMBL5417944 0.86 PTGS2 (0.59) PTGS2XDHALDH1A1GABRA1GABRB2
SCHEMBL5421011 0.85 PTGS2 (0.46) PTGS2XDHALDH1A1GABRA1GABRB2
SCHEMBL6537050 0.85 PTGS2 (0.49) PTGS2XDHALDH1A1GABRA1GABRB2
Ethylene SCHEMBL28753621 0.84 XDH (0.52) PTGS2XDHALDH1A1GABRA1GABRB2

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 2 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