SCHEMBL8948851

SCHEMBL8948851

COC(=O)/C=C(/OC)c1ccccc1/C=C/c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.54
BACE1 P56817 5/20 0.54
MAOB P27338 1/20 0.50
APP P05067 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
LCK P06239 1/20 0.46
SNCA P37840 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL10615455 0.84 TRPA1 (0.45) BACE1SNCANPC1RAB9A
SCHEMBL10615460 0.84 TRPA1 (0.45) BACE1SNCANPC1RAB9A
SCHEMBL8949036 0.82 LTB4R (0.43) BACE1SNCA
SCHEMBL8948888 0.82 LTB4R (0.43) BACE1SNCA
SCHEMBL8661918 0.82 GSK3B (0.62) GSK3BBACE1MAOBAPPPPARG
SCHEMBL8661921 0.82 GSK3B (0.62) GSK3BBACE1MAOBAPPPPARG
SCHEMBL2776603 0.78 GSK3B (0.76) GSK3BBACE1MAOBAPPKDM4E
SCHEMBL2776601 0.78 GSK3B (0.76) GSK3BBACE1MAOBAPPKDM4E
SCHEMBL11372251 0.75 GSK3B (0.62) GSK3BBACE1MAOBAPPABCG2
SCHEMBL8948935 0.73 LTB4R (0.44) BACE1ABCG2SNCA

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-5573999-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed