SCHEMBL9253029

SCHEMBL9253029

C=CCOc1c(CC=C)cc(CC=C)cc1CC=C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 1/20 0.36
CYP3A4 P08684 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 2/20 0.35
XDH P47989 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 1/20 0.35
GABRA1 P14867 4/20 0.35
GABRB2 P47870 4/20 0.35
CNR2 P34972 4/20 0.35
ALOX5 P09917 2/20 0.35
DHFR P00374 1/20 0.35
MEN1 O00255 2/20 0.34
GAA P10253 2/20 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
SCHEMBL20226270 0.85 GABRA1 (0.44) CYP3A4ALOX15MAPTGABRA1GABRB2
SCHEMBL29370071 0.82 GABRA1 (0.44) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL2462713 0.80 ALDH1A1 (0.39) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL5082696 0.80 FFAR4 (0.40) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL11602955 0.79 GABRA1 (0.47) ALDH1A1SMN1; SMN2TP53TSHRMAPT
SCHEMBL1473043 0.79 ADRA2A (0.35) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL20956961 0.78 XDH (0.40) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL9618034 0.77 POLB (0.51) ALDH1A1CYP3A4SMN1; SMN2ALOX15KDM4E
SCHEMBL20226269 0.77 HTT (0.36) ALDH1A1CYP3A4SMN1; SMN2ALOX15MEN1
SCHEMBL11586876 0.77 CNR2 (0.52) ALDH1A1PPARGPPARDPPARACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4227912-A None JP disclosed
EP-0457732-B1 Curable compositions CIBA GEIGY AG (CH) 1995-03-01 EP disclosed
US-5183869-A Bismaleimides, 2-6-dialkyl-4-allylphenols or 2,6-dialkyl-4-allylphenol allyl ethers; crosslinking CIBA-GEIGY CORPORATION (US) 1993-02-02 US disclosed
JP-H04227912-A NEW HARDENABLE COMPOSITION CIBA GEIGY AG 1992-08-18 JP disclosed
EP-0457732-A1 Curable compositions CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed