SCHEMBL3751989

SCHEMBL3751989

CC(C)(c1ccccc1)c1ccccc1N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
ALDH1A1 P00352 3/20 0.45
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
TAAR1 Q96RJ0 1/20 0.41
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNN4 O15554 3/20 0.39
NR3C2 P08235 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
Bromide SCHEMBL7776359 0.98 CYP3A4 (0.43) CYP3A4ALDH1A1ESR1ESR2TAAR1
Hydrochloric Acid SCHEMBL3291595 0.98 CYP3A4 (0.43) CYP3A4ALDH1A1ESR1ESR2TAAR1
SCHEMBL2034203 0.93 CYP3A4 (0.41) CYP3A4ALDH1A1ESR1ESR2TAAR1
SCHEMBL9187894 0.87 ESR1 (0.44) CYP3A4ALDH1A1ESR1ESR2TAAR1
SCHEMBL10392513 0.87 S1PR1 (0.39) CYP3A4ALDH1A1ESR1ESR2TAAR1
SCHEMBL895143 0.85 CYP3A4 (0.47) CYP3A4ALDH1A1SMN1; SMN2ALOX15CASP1
SCHEMBL30606647 0.85 CYP3A4 (0.41) CYP3A4ALDH1A1ESR1ESR2TAAR1
SCHEMBL4409081 0.85 CYP3A4 (0.41) CYP3A4ALDH1A1ESR1ESR2TAAR1
SCHEMBL2199266 0.83 ALDH1A1 (0.54) CYP3A4ALDH1A1ESR1ESR2TAAR1
SCHEMBL565208 0.82 ESR1 (0.47) CYP3A4ALDH1A1ESR1ESR2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0016432-B1 PROCESS FOR PREPARING 1-AMINO-2-PHENOXY-4-HYDROXY-ANTHRAQUINONE BASF Aktiengesellschaft (DE) 1981-11-25 EP claimed
EP-0016432-A1 Process for preparing 1-amino-2-phenoxy-4-hydroxy-anthraquinone BASF Aktiengesellschaft (DE) 1980-10-01 EP claimed
WO-2020138837-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE 엘티소재주식회사 2020-07-02 WO disclosed
US-9078815-B2 Self-cure activator DENTSPLY INTERNATIONAL INC. (US) 2015-07-14 US disclosed
US-20130018123-A1 SELF-CURE ACTIVATOR DENTSPLY INTERNATIONAL INC. (US) 2013-01-17 US disclosed
EP-1845929-B1 SELF-CURE ACTIVATOR DENTSPLY INT INC (US) 2012-10-31 EP disclosed
US-20100298462-A1 Self-cure activator LIU HUAIBING 2010-11-25 US disclosed
EP-1845929-A1 SELF-CURE ACTIVATOR DENTSPLY INTERNATIONAL, INC. (US) 2007-10-24 EP disclosed
US-20070123605-A1 Self-cure activator DENTSPLY RESEARCH AND DEVELOPMENT CORP. (US) 2007-05-31 US disclosed
WO-2006086559-A1 SELF-CURE ACTIVATOR DENTSPLY INTERNATIONAL INC. (US) 2006-08-17 WO disclosed
EP-1036097-A1 OLEFIN POLYMERIZATION CATALYST AND METHOD FOR POLYMERIZING AN OLEFIN USING THE CATALYST Asahi Kasei Kabushiki Kaisha (JP) 2000-09-20 EP disclosed
WO-1999028353-A1 OLEFIN POLYMERIZATION CATALYST AND METHOD FOR POLYMERIZING AN OLEFIN USING THE CATALYST ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1999-06-10 WO disclosed
EP-0735084-A1 Flame retardant thermoplastic styrenic resin composition DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1996-10-02 EP disclosed
EP-0069065-B1 PROCESS FOR THE ALKYLATION OR ARALKYLATION OF AROMATIC AMINES CIBA-GEIGY AG (CH) 1985-02-13 EP disclosed
US-4436936-A ACID CATALYSTS CIBA-GEIGY CORPORATION (US) 1984-03-13 US disclosed
EP-0069065-A1 Process for the alkylation or aralkylation of aromatic amines CIBA-GEIGY AG (CH) 1983-01-05 EP disclosed