SCHEMBL9863397

SCHEMBL9863397

CC(=O)Oc1c(Br)cc(C(C)=O)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.42
CA5A P35218 1/20 0.41
HTT P42858 3/20 0.41
TSHR P16473 2/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
LMNA P02545 1/20 0.39
PREP P48147 1/20 0.39
TOP1 P11387 2/20 0.39
ABCB11 O95342 1/20 0.39
CA2 P00918 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BACE1 P56817 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL9863177 0.89 HTT (0.42) TPMTCA5AHTTTSHRAPOBEC3A
SCHEMBL18281058 0.86 TPMT (0.58) TPMTCA5AHTTTSHRAPOBEC3A
SCHEMBL4934294 0.84 TSHR (0.59) TPMTHTTTSHRAPOBEC3AAPOBEC3G
SCHEMBL18289199 0.84 TPMT (0.40) TPMTHTTTSHRAPOBEC3AAPOBEC3G
SCHEMBL4647729 0.83 HSD17B10 (0.50) HTTTSHRPREPTOP1ABCB11
SCHEMBL6936490 0.83 PREP (0.46) TPMTHTTPREPTOP1ABCB11
SCHEMBL13864993 0.81 BACE1 (0.50) TPMTLMNAPREPABCB11CA2
SCHEMBL7827341 0.81 PREP (0.48) TPMTCA5AHTTPREPTOP1
SCHEMBL14430071 0.81 KDM4E (0.44) HTTLMNAPREPTOP1CA2
SCHEMBL8675250 0.77 KDM4E (0.49) CA5AHTTTSHRLMNAPREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5072025-A Process for the production of 3,5-disubstituted-4-acetoxystyrene HOECHST CELANESE CORPORATION (US) 1991-12-10 US disclosed
US-4965400-A Preparation of 3,5-disubstituted-4-acetoxystyrene CLARIANT AG (CH) 1990-10-23 US disclosed
US-4933495-A Process for the production of 3-mono or 3,5 dihalogenated 4-acetoxystyrene, its polymerization, and hydrolysis HOECHST CELANESE CORPORATION (US) 1990-06-12 US disclosed
US-4927956-A 3,5-disubstituted-4-acetoxystyrene and process for its production HOECHST CELANESE CORPORATION (US) 1990-05-22 US disclosed
EP-0356070-A1 Synthesis of 4-acetoxystyrene oxide and related compounds HOECHST CELANESE CORPORATION (US) 1990-02-28 EP disclosed
EP-0353339-A2 A process for the production of poly(3-mono or 3,5-disubstituted-4-Acetoxystryrenes), their copolymers and hydrolysis thereof HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-07 EP disclosed
US-4868257-A Process for the production of 3-mono or 3,5 disubstituted-4-acetoxystyrene, its polymerization HOECHST CELANESE CORPORATION (US) 1989-09-19 US disclosed
US-4868256-A Process for the production of 3-mono or 3,5-disubstituted-4-acetoxystyrene its polymerization, and hydrolysis HOECHST CELANESE (US) 1989-09-19 US disclosed
EP-0307751-A2 3-mono- and 3,5-disubstituted-4-acetoxy and -4-hydroxystyrenes and process for their production HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-22 EP disclosed