SCHEMBL28478148

SCHEMBL28478148

CCCCCCCCCCOC(C[O])CO

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.54
CNR1 P21554 4/20 0.54
ALDH1A1 P00352 1/20 0.54
DNM1 Q05193 1/20 0.52
LPAR1 Q92633 5/20 0.47
LPAR3 Q9UBY5 5/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
USP2 O75604 1/20 0.44
LPAR2 Q9HBW0 3/20 0.44
LPAR6 P43657 2/20 0.44
LPAR4 Q99677 2/20 0.44
LPAR5 Q9H1C0 2/20 0.44

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
SCHEMBL28000656 1.00 CNR2 (0.54) CNR2CNR1ALDH1A1DNM1LPAR1
SCHEMBL29110917 1.00 CNR2 (0.54) CNR2CNR1ALDH1A1DNM1LPAR1
SCHEMBL2217627 0.87 CNR2 (0.67) CNR2CNR1ALDH1A1DNM1LPAR1
SCHEMBL2218924 0.87 CNR2 (0.67) CNR2CNR1ALDH1A1DNM1LPAR1
SCHEMBL2342987 0.87 CNR2 (0.67) CNR2CNR1ALDH1A1DNM1LPAR1
SCHEMBL100166 0.87 CNR2 (0.67) CNR2CNR1ALDH1A1DNM1LPAR1
SCHEMBL9243523 0.87 CNR2 (0.67) CNR2CNR1ALDH1A1DNM1LPAR1
SCHEMBL3793537 0.87 CNR2 (0.67) CNR2CNR1ALDH1A1DNM1LPAR1
SCHEMBL6417540 0.87 CNR2 (0.67) CNR2CNR1ALDH1A1DNM1LPAR1
SCHEMBL2216579 0.87 CNR2 (0.67) CNR2CNR1ALDH1A1DNM1LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428775-B Cyanobenzoxanthene and benzothioxanthene compounds 巴斯夫欧洲公司 2020-11-03 CN disclosed