SCHEMBL9863293

SCHEMBL9863293

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA2 P00918 1/20 0.35
BACE1 P56817 1/20 0.34
THRA P10827 3/20 0.33
THRB P10828 3/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TOP1 P11387 1/20 0.33
ABCB11 O95342 1/20 0.33
CFD P00746 1/20 0.33
CELA1 Q9UNI1 1/20 0.33
HSD11B1 P28845 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL9476401 0.90 HTT (0.40) PREPMEN1KMT2ACA2BACE1
SCHEMBL8673246 0.79 HTT (0.45) PREPBACE1HTTHSD17B10KDM4E
SCHEMBL6936490 0.78 PREP (0.46) PREPMEN1KMT2ACA2BACE1
SCHEMBL4647729 0.78 HSD17B10 (0.50) PREPMEN1KMT2ACA2BACE1
SCHEMBL7827341 0.76 PREP (0.48) PREPMEN1KMT2ACA2BACE1
SCHEMBL13864993 0.76 BACE1 (0.50) PREPMEN1KMT2ACA2BACE1
SCHEMBL14430071 0.76 KDM4E (0.44) PREPMEN1KMT2ACA2BACE1
SCHEMBL19726450 0.75 TSHR (0.43) HTTHSD17B10TP53MAPT
SCHEMBL9863397 0.75 TPMT (0.42) PREPMEN1KMT2ACA2BACE1
SCHEMBL1379951 0.75 LMNA (0.46) MEN1KMT2ABACE1HSD17B10KDM4E

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