SCHEMBL3687465

SCHEMBL3687465

[CH]C(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALOX15 P16050 1/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CYP3A4 P08684 1/20 0.44
KCNN4 O15554 4/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2B6 P20813 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL1514215 0.81 MAPK1 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL6280946 0.78 MAPK1 (0.52) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL27650352 0.75 MAPK1 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL14910456 0.73 ESR1 (0.70) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL22264599 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL96177 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL35881 0.73 ESR1 (0.70) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL22264597 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL18889 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL430941 0.73 ESR1 (0.70) MAPK1ALDH1A1TAAR1ALOX15ESR1

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
CN-107851730-A OLED 三星SDI株式会社 2018-03-27 CN disclosed
CN-107710416-A Organic light emitting display 三星SDI株式会社 2018-02-16 CN disclosed
CN-107683537-A Organic light emitting display 三星SDI株式会社 2018-02-09 CN disclosed
CN-107075033-A Constituent for display seal material, the organic protection layer containing it, contain its display equipment 三星SDI株式会社 2017-08-18 CN disclosed
US-8262933-B2 Thermoplastic resin composition, method for producing the same, and molded article obtained from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-11 US disclosed
US-20100207064-A1 THERMOPLASTIC RESIN COMPOSITION, METHOD FOR PRODUCING THE SAME, AND MOLDED ARTICLE OBTAINED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
CN-100566806-C Macromolecule dispersing agent KAO CORP (JP) 2009-12-09 CN disclosed
CN-101535421-A Method for producing coatings with metal coordinating and film-forming materials BASF CORP (US) 2009-09-16 CN disclosed
CN-101528795-A Metal coordinating and film-forming materials BASF CORP (US) 2009-09-09 CN disclosed