SCHEMBL4661089

SCHEMBL4661089

C=C(C)COc1ccc(CCC)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
THRB P10828 2/20 0.49
GPR174 Q9BXC1 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
PLA2G4A P47712 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7219373 0.95 ALDH1A1 (0.48) ALDH1A1THRBGPR174TRPM8LMNA
SCHEMBL7219384 0.89 ALDH1A1 (0.50) ALDH1A1THRBGPR174TRPM8LMNA
SCHEMBL7786879 0.89 ACACB (0.44) ALDH1A1THRBGPR174TRPM8KMT2A
SCHEMBL7219072 0.88 GAA (0.51) ALDH1A1THRBGPR174TRPM8LMNA
SCHEMBL12035980 0.85 RAB9A (0.49) ALDH1A1GPR174TRPM8LMNAL3MBTL1
SCHEMBL10338925 0.84 GPR174 (0.58) ALDH1A1GPR174LMNAL3MBTL1KMT2A
SCHEMBL12902147 0.81 LTA4H (0.53) GPR174PLA2G4A
SCHEMBL10257084 0.81 GPR174 (0.49) ALDH1A1GPR174TRPM8LMNAL3MBTL1
SCHEMBL6898109 0.80 KMT2A (0.52) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL9028852 0.80 PPARA (0.57) ALDH1A1L3MBTL1KMT2AMEN1POLB

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
CN-105418388-A Preparation method for flame retardant of 2,2-bis [3,5-dibromo-4-(2,3-dibromo-2-methyl propoxy) phenyl] propane QIAN LIJUN 2016-03-23 CN claimed
WO-2000055253-A1 IONOMER COMPOSITE COMPOSITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2000-09-21 WO claimed
CN-110483257-A Bis- [the bromo- 4- of 3,5- bis- (the bromo- 2- methyl propoxyl group of 2,3- bis-) phenyl] the propane synthetic methods of 2,2- JIANGSU XINZHOU CHEMICAL SCIENCE & TECH CO LTD 2019-11-22 CN disclosed
CN-105418388-A Preparation method for flame retardant of 2,2-bis [3,5-dibromo-4-(2,3-dibromo-2-methyl propoxy) phenyl] propane QIAN LIJUN 2016-03-23 CN disclosed
EP-1776176-A4 COMPOSITE MATERIAL COMPRISING A NON-CROSSLINKED GEL POLYMER UNIV MCMASTER (CA) 2008-12-24 EP disclosed
EP-1776176-A1 COMPOSITE MATERIAL COMPRISING A NON-CROSSLINKED GEL POLYMER McMaster University (CA) 2007-04-25 EP disclosed
WO-2006015495-A1 COMPOSITE MATERIAL COMPRISING A NON-CROSSLINKED GEL POLYMER MCMASTER UNIVERSITY (CA) 2006-02-16 WO disclosed
US-6488503-B1 PROCESS FOR PRODUCING AN ARTIFICIAL TOOTH COMPRISING: INJECTION MOLDING POLYMERIZABLE MATERIAL INTO A MOLD TO FORM AN OUTER EXTERNAL POLYMERIC LAYER. THEN INJECTION MOLDING POLYMERIZABLE MATERIAL INTO THE MOLD TO FORM A SOLID CORE ON A DENTSPLY RESEARCH & DEVELOPMENT CORP. 2002-12-03 US disclosed
US-6384107-B2 ARTIFICIAL TOOTH COMPRISING A MATRIX POLYMER CONTAINING SILANE OR SILOXANE MOITIES; DENTAL PROSTHESIS CONTAINING SELF-LUBRICATING PARTICLES; INTERPENETRATING POLYMER NETWORKS; MOLDING MATERIALS DENTSPLY RESEARCH & DEVELOPMENT CORP. 2002-05-07 US disclosed
WO-2000055253-A1 IONOMER COMPOSITE COMPOSITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2000-09-21 WO disclosed