SCHEMBL9495152

SCHEMBL9495152

Cc1c(O)ccc(O)c1C=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.50
ALOX5 P09917 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
TRPA1 O75762 1/20 0.48
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
AHR P35869 1/20 0.46
PTPN1 P18031 1/20 0.44
HNF4A P41235 1/20 0.44
NFE2L2 Q16236 1/20 0.44
TUBB1 Q9H4B7 1/20 0.43
HDAC3 O15379 1/20 0.42
TNKS O95271 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL8416884 0.87 TRPA1 (0.53) TTRALOX5PTGS1PTGS2TRPA1
SCHEMBL17097110 0.87 TRPA1 (0.53) TTRALOX5PTGS1PTGS2TRPA1
SCHEMBL9495620 0.83 TUBB1 (0.59) TRPA1MAPTNFE2L2TUBB1KDM4E
SCHEMBL3669755 0.83 CHAT (0.44) TTRALOX5PTGS1PTGS2TRPA1
SCHEMBL17097111 0.82 TTR (0.53) TTRALOX5PTGS1PTGS2TRPA1
SCHEMBL20488356 0.81 ALOX5 (0.56) TTRALOX5PTGS1PTGS2TRPA1
SCHEMBL31154524 0.79 ALOX5 (0.55) TTRALOX5PTGS1PTGS2TRPA1
SCHEMBL18109192 0.79 TRPA1 (0.52) TTRALOX5PTGS1PTGS2TRPA1
SCHEMBL1425963 0.79 TTR (0.63) TTRALOX5PTGS1PTGS2TRPA1
SCHEMBL1425965 0.79 TTR (0.63) TTRALOX5PTGS1PTGS2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347835-B1 PROCESS FOR PREPARING ARYL-ETHYL PHENOLS HAVING ONE OR MORE ALKYL SUBSTITUENTS IN THE ETHYL GROUP AND THEIR USE HIMONT ITALIA S.r.l. (IT) 1993-04-28 EP disclosed
US-5041692-A Reacting phenol with vinyl group substituted vinyl aromatic hydrocarbon HIMONT ITALIA S.R.L. (IT) 1991-08-20 US disclosed
EP-0347835-A2 Process for preparing aryl-ethyl phenols having one or more alkyl substituents in the ethyl group and their use HIMONT ITALIA S.r.l. (IT) 1989-12-27 EP disclosed