SCHEMBL11333301

SCHEMBL11333301

C=CCc1ccc(O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
TTR P02766 2/20 0.45
POLB P06746 2/20 0.40
BACE1 P56817 1/20 0.40
TYR P14679 1/20 0.39
ESR1 P03372 2/20 0.38
XDH P47989 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR2 Q92731 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 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
SCHEMBL8521027 0.84 HSD17B10 (0.46) HSD17B10GABRA1GABRB2TTRPOLB
SCHEMBL4446113 0.81 GABRA1 (0.50) GABRA1GABRB2POLBTYRESR1
Phenolsulphonic Acid SCHEMBL9455255 0.80 POLB (0.40) HSD17B10GABRA1GABRB2POLBL3MBTL1
SCHEMBL5702227 0.80 HSD17B10 (0.46) HSD17B10TTRBACE1TYRESR1
SCHEMBL30956678 0.79 IDO1 (0.54) POLBMAPTALDH1A1L3MBTL1PTGDR
SCHEMBL249746 0.79 IDO1 (0.54) POLBMAPTALDH1A1L3MBTL1PTGDR
SCHEMBL69697 0.79 TYR (0.58) GABRA1GABRB2POLBTYRXDH
SCHEMBL9296359 0.78 GABRA1 (0.47) GABRA1GABRB2POLBTYRESR1
Bromide SCHEMBL28225209 0.78 IDO1 (0.52) POLBMAPTALDH1A1L3MBTL1PTGDR
SCHEMBL10942834 0.77 HSD17B10 (0.52) HSD17B10TTRBACE1TYRESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56164171-A None JP disclosed
CN-114394884-B Preparation method of allylphenol compound 暨南大学 2023-06-16 CN disclosed
CN-114394884-A Preparation method of allyl phenol compound 暨南大学 2022-04-26 CN disclosed
JP-S56164171-A LIQUID CRYSTAL COMPOUND SEIKO EPSON CORP 1981-12-17 JP disclosed