SCHEMBL28119736

SCHEMBL28119736

C=CCc1cccc(CC=C)c1.N=C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ GABRA1 P14867 4/20 0.44
▸ GABRB2 P47870 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ CNR2 P34972 3/20 0.44
▸ PPARG P37231 2/20 0.44
▸ PPARD Q03181 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ CNR1 P21554 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH2 P05091 1/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PTGS2 P35354 1/20 0.43
▸ PPARA Q07869 1/20 0.41
▸ CYP3A4 P08684 5/20 0.41

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
SCHEMBL1325860 0.89 XDH (0.54) XDHALDH1A1MEN1KMT2AGABRA1
Ethylene SCHEMBL28753621 0.86 XDH (0.52) XDHALDH1A1MEN1KMT2AGABRA1
Water SCHEMBL28099990 0.86 XDH (0.52) XDHALDH1A1MEN1KMT2AGABRA1
Allylbenzene SCHEMBL693022 0.84 MAOB (0.48) XDHALDH1A1MEN1KMT2AGABRA1
Allylbenzene SCHEMBL27805566 0.84 MAOB (0.48) XDHALDH1A1MEN1KMT2AGABRA1
SCHEMBL1666912 0.82 XDH (0.41) XDHALDH1A1MEN1KMT2AGABRA1
SCHEMBL29467220 0.78 XDH (0.45) XDHALDH1A1MEN1KMT2AGABRA1
SCHEMBL21557350 0.78 XDH (0.45) XDHALDH1A1MEN1KMT2AGABRA1
SCHEMBL31568333 0.78 MAOB (0.52) XDHALDH1A1MEN1KMT2AGABRA1
SCHEMBL4872736 0.78 XDH (0.50) XDHALDH1A1MEN1KMT2AGABRA1

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
CN-104530702-B Stabilizer composition, preparation method of stabilizer composition and molded composition formed by stabilizer composition 金发科技股份有限公司 2017-01-18 — — CN claimed
CN-104530702-B Stabilizer composition, preparation method of stabilizer composition and molded composition formed by stabilizer composition 金发科技股份有限公司 2017-01-18 — — CN disclosed
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