SCHEMBL30248263

SCHEMBL30248263

O=C(CCCCc1ccccc1)CC(O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.57
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
TRPV1 Q8NER1 1/20 0.51
ALOX5 P09917 3/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL3091093 0.95 TRPA1 (0.55) TRPA1MAPTRXFP1TRPV1HDAC1
SCHEMBL27724984 0.91 TRPV1 (0.60) TRPA1MAPTRXFP1TRPV1ALOX5
SCHEMBL3102141 0.88 TRPA1 (0.65) TRPA1TRPV1HDAC1HDAC2HDAC3
1-Hydroxy-6-(4-Hydroxy-Phenyl)-1-Phenyl-Hexan-3-One (Enantiomeric Mix) SCHEMBL3098019 0.86 TRPV1 (0.58) TRPA1TRPV1HDAC1HDAC2HDAC3
SCHEMBL7645395 0.81 TRPA1 (0.61) TRPA1MAPTRXFP1TRPV1ALOX5
SCHEMBL4886613 0.80 MAPT (0.73) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL7007779 0.79 MAPT (0.61) TRPA1MAPTRXFP1TRPV1ALOX5
SCHEMBL11137519 0.79 MAPT (0.77) TRPA1MAPTRXFP1ALOX5HDAC1
SCHEMBL28609434 0.79 MAPT (0.77) TRPA1MAPTRXFP1ALOX5HDAC1
SCHEMBL1508071 0.79 MAPT (0.77) TRPA1MAPTRXFP1ALOX5HDAC1

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-115671086-A Application of 5-hydroxy-1,7-diphenyl-3-heptanone or medicinal derivative in preparation of drugs for treating hepatitis and liver cancer 海南医学院第二附属医院 2023-02-03 CN disclosed