SCHEMBL9935542

SCHEMBL9935542

CC(Br)c1cc(O)cc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
ADRB2 P07550 7/20 0.43
TSHR P16473 3/20 0.43
HIF1A Q16665 3/20 0.43
ADRA1A P35348 2/20 0.43
CYP3A4 P08684 3/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 1/20 0.38
CASP7 P55210 1/20 0.38
MEN1 O00255 1/20 0.37
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ESR1 P03372 1/20 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
SCHEMBL7551717 0.78
SCHEMBL682769 0.77 BACE1 (0.50) BACE1ADRB2TSHRHIF1AADRA1A
SCHEMBL17926276 0.75 ADRB1 (0.57) ADRB2TSHRHIF1AADRA1ACYP3A4
SCHEMBL9935894 0.74 CYP3A4 (0.47) BACE1CYP3A4LMNAKMT2AMEN1
SCHEMBL544301 0.74 ADRB2 (0.50) BACE1ADRB2TSHRHIF1AADRA1A
SCHEMBL11560052 0.72 BACE1 (0.44) BACE1ADRB2TSHRHIF1AADRA1A
SCHEMBL677922 0.72 ESR1 (0.62) ADRB2HIF1AADRA1ACYP3A4LMNA
SCHEMBL4366613 0.72 ADRA1A (0.48) BACE1ADRB2TSHRHIF1AADRA1A
SCHEMBL18326538 0.72 ADRA1A (0.48) BACE1ADRB2TSHRHIF1AADRA1A
SCHEMBL28880597 0.72 BACE1 (0.44) BACE1ADRB2TSHRHIF1AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468706-A1 Process for the preparation of resveratrol DSM IP Assets B.V. (NL) 2012-06-27 EP claimed
WO-2012080120-A1 PROCESS FOR THE PREPARATION OF RESVERATROL DSM IP ASSETS B.V. (NL) 2012-06-21 WO claimed
CN-104230770-B The application of styryl sulfone compound, its preparation method as well as neuroprotective agent 华夏生生药业(北京)有限公司 2017-11-21 CN disclosed
CN-102906138-A Styrene resin composition, biaxially stretched styrene resin sheet, and molded article thereof SUNDIC INC 2013-01-30 CN disclosed
EP-2468706-A1 Process for the preparation of resveratrol DSM IP Assets B.V. (NL) 2012-06-27 EP disclosed
EP-2468706-A1 Process for the preparation of resveratrol DSM IP Assets B.V. (NL) 2012-06-27 EP disclosed
WO-2012080120-A1 PROCESS FOR THE PREPARATION OF RESVERATROL DSM IP ASSETS B.V. (NL) 2012-06-21 WO disclosed
WO-2012080120-A1 PROCESS FOR THE PREPARATION OF RESVERATROL DSM IP ASSETS B.V. (NL) 2012-06-21 WO disclosed
CN-1276936-C Styrene resin composition and process for producing the same DAINIPPON INK & CHEMICALS (JP) 2006-09-27 CN disclosed
CN-1625581-A styrene resin composition and method for preparing the same DAINIPPON INK & CHEMICALS (JP) 2005-06-08 CN disclosed