SCHEMBL4366147

SCHEMBL4366147

C=Cc1c(O)ccc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
ATM Q13315 1/20 0.39
SLC22A8 Q8TCC7 3/20 0.38
SLC22A6 Q4U2R8 2/20 0.38
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ESR1 P03372 7/20 0.33
ESR2 Q92731 6/20 0.33
AR P10275 3/20 0.33
ERN1 O75460 3/20 0.33
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PDXK O00764 1/20 0.32
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7746074 0.82 SLC22A8 (0.45) TRPA1ATMSLC22A8SLC22A6TP53
SCHEMBL1611653 0.80 CYP1A2 (0.32) TP53TDP1TSHR
SCHEMBL27632552 0.77 TRPA1 (0.39) TRPA1SLC22A8SLC22A6TP53TDP1
SCHEMBL3312483 0.77 ERN1 (0.47) TRPA1ATMTP53TDP1ERN1
SCHEMBL12971238 0.77 TRPA1 (0.38) TRPA1SLC22A8SLC22A6TDP1ERN1
SCHEMBL11774465 0.77 SLC22A8 (0.39) TRPA1SLC22A8SLC22A6ESR1ESR2
SCHEMBL27479526 0.76 CNR2 (0.41) TRPA1ATMTP53TDP1ESR1
SCHEMBL158243 0.74 KDM4E (0.31)
SCHEMBL29434185 0.74 KDM4E (0.31)
SCHEMBL5434329 0.73 TRPA1 (0.50) TRPA1ATMTP53TDP1ESR1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4228266-A FROM CYCLOPENTADIENE, DICYCLOPENTADIENE, ALKYL-SUBSTITUTED COMPOUNDS THEREOF AND A HYDROXYSTYRENE DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-14 US claimed
US-4129557-A CYCLOPENTADIENE, DICYCLOPENTADIENE, HYDROXYSTYRENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-12-12 US claimed
US-7560162-B2 Electrodeposition coating composition, coating method and coated article KANSAI PAINT CO., LTD. (JP) 2009-07-14 US disclosed
US-20060211831-A1 Electrodeposition coating composition, coating method and coated article KANSAI PAINT CO. LTD. (JP) 2006-09-21 US disclosed
EP-0448341-B1 Coating composition for precoated metal material NIPPON PAINT CO LTD (JP) 1995-06-07 EP disclosed
EP-0307752-B1 Poly(3-mono- and 3,5-disubstituted-4-acetoxystyrenes and 4-hydroxy-styrenes)and their use HOECHST AG (DE) 1995-02-22 EP disclosed
US-5274174-A Process for the production of poly(4-hydroxystyrene) HOECHST CELANESE CORPORATION (US) 1993-12-28 US disclosed
US-5274173-A Process for the production of poly(4-acetoxystyrene) HOECHST CELANESE CORPORATION (US) 1993-12-28 US disclosed
US-5274175-A Process for the preparation of 4-acetoxyphenylmethyl carbinol HOECHST CELANESE CORPORATION (US) 1993-12-28 US disclosed
EP-0355983-B1 A PROCESS FOR THE LOW RESIDENCE TIME DEHYDRATION OF P-ACETOXYPHENYL METHYLCARBINOL HOECHST CELANESE CORPORATION (US) 1993-09-15 EP disclosed
US-5245074-A Process for the production of 4-acetoxystyrene, its polymers and hydrolysis products CLARIANT AG (CH) 1993-09-14 US disclosed
EP-0307752-A2 Poly(3-mono- and 3,5-disubstituted-4-acetoxystyrenes and 4-hydroxy-styrenes)and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-22 EP disclosed
EP-0178020-B1 PROCESS FOR THE TREATMENT OF ALUMINIUM SURFACES PARKER CHEMICAL COMPANY (a Delaware company) (US) 1988-10-19 EP disclosed
EP-0178020-A1 Process for the treatment of aluminium surfaces PARKER CHEMICAL COMPANY (a Delaware company) (US) 1986-04-16 EP disclosed
US-4539051-A Process for producing phosphate coatings PARKER CHEMICAL COMPANY (US) 1985-09-03 US disclosed
US-4517028-A CORROSION RESISTANT COATINGS PARKER CHEMICAL COMPANY (US) 1985-05-14 US disclosed
US-4457790-A CORROSION RESISTANCE PARKER CHEMICAL COMPANY (US) 1984-07-03 US disclosed
US-4228266-A FROM CYCLOPENTADIENE, DICYCLOPENTADIENE, ALKYL-SUBSTITUTED COMPOUNDS THEREOF AND A HYDROXYSTYRENE DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-14 US disclosed
US-4129557-A CYCLOPENTADIENE, DICYCLOPENTADIENE, HYDROXYSTYRENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-12-12 US disclosed
US-4035559-A CROSSLINKING AGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-07-12 US disclosed