SCHEMBL8948935

SCHEMBL8948935

CO/C(=C\C(=O)O)c1ccccc1/C=C/c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.44
SNCA P37840 4/20 0.43
HDAC2 Q92769 2/20 0.43
BACE1 P56817 1/20 0.42
TRPM2 O94759 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CAPN1 P07384 3/20 0.39
TRPA1 O75762 1/20 0.39
NFE2L2 Q16236 1/20 0.39
GRIK1 P39086 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
GRIK2 Q13002 1/20 0.38
GRIK3 Q13003 1/20 0.38

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
SCHEMBL8949036 0.91 LTB4R (0.43) LTB4RSNCAHDAC2BACE1TRPM2
SCHEMBL8948888 0.91 LTB4R (0.43) LTB4RSNCAHDAC2BACE1TRPM2
SCHEMBL29054162 0.83 BACE1 (0.59) LTB4RSNCAHDAC2BACE1TRPM2
SCHEMBL10615460 0.82 TRPA1 (0.45) SNCABACE1HDAC1CYP1A2CYP2C19
SCHEMBL10615455 0.82 TRPA1 (0.45) SNCABACE1HDAC1CYP1A2CYP2C19
SCHEMBL8948913 0.78 ALDH1A1 (0.39) HSD17B10
SCHEMBL8948907 0.78 ALDH1A1 (0.39) HSD17B10
SCHEMBL8948851 0.73 GSK3B (0.54) SNCABACE1ABCG2
SCHEMBL30423635 0.73 BACE1 (0.61) SNCABACE1CYP1A2CYP2C19HSD17B10
SCHEMBL29227737 0.73 BACE1 (0.61) SNCABACE1CYP1A2CYP2C19HSD17B10

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