SCHEMBL8949036

SCHEMBL8949036

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.43
HDAC2 Q92769 2/20 0.42
BACE1 P56817 1/20 0.41
TRPM2 O94759 1/20 0.41
SNCA P37840 4/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CAPN1 P07384 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
TRPA1 O75762 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37

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
SCHEMBL8948888 1.00 LTB4R (0.43) LTB4RHDAC2BACE1TRPM2SNCA
SCHEMBL10615460 0.92 TRPA1 (0.45) BACE1SNCAHDAC1CAPN1CYP1A2
SCHEMBL10615455 0.92 TRPA1 (0.45) BACE1SNCAHDAC1CAPN1CYP1A2
SCHEMBL8948935 0.91 LTB4R (0.44) LTB4RHDAC2BACE1TRPM2SNCA
SCHEMBL8948851 0.82 GSK3B (0.54) BACE1SNCA
SCHEMBL29054162 0.82 BACE1 (0.59) LTB4RHDAC2BACE1TRPM2SNCA
SCHEMBL7652378 0.77 TSHR (0.43) CYP1A2CYP2C19HSD17B10
SCHEMBL7652380 0.77 TSHR (0.43) CYP1A2CYP2C19HSD17B10
SCHEMBL22824310 0.75 CA12 (0.64) LTB4RHDAC2TRPM2HDAC1HDAC6
SCHEMBL4833218 0.74 CA12 (0.66) LTB4RHDAC2TRPM2HDAC1HDAC6

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