SCHEMBL28656722

SCHEMBL28656722

CCc1cc(C)c(N)cc1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
CYP1A2 P05177 1/20 0.56
ALOX15 P16050 1/20 0.56
CASP7 P55210 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CYP3A4 P08684 3/20 0.55
TSHR P16473 2/20 0.55
MAPK1 P28482 1/20 0.55
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
ATAD2 Q6PL18 1/20 0.39
TERT O14746 1/20 0.38
S100B P04271 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
CASP1 P29466 1/20 0.37
CD44 P16070 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL14036541 0.90 ALDH1A1 (0.56) ALDH1A1CYP1A2ALOX15CASP7HIF1A
Diethylamine SCHEMBL5988480 0.89 ALDH1A1 (0.57) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL5951712 0.87 ALDH1A1 (0.52) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL12345636 0.85 ALDH1A1 (0.56) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL31123471 0.85 ALDH1A1 (0.70) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL11513154 0.85 ALDH1A1 (0.50) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL12797863 0.85 ALDH1A1 (0.50) ALDH1A1CYP1A2ALOX15CASP7HIF1A
Pyrrolidine SCHEMBL5739616 0.84 ALDH1A1 (0.52) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL941288 0.82 ALDH1A1 (1.00) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL5372842 0.82 ALDH1A1 (0.73) ALDH1A1CYP1A2ALOX15CASP7HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113396137-A Method for producing 1,1, 1-trifluoro-2, 2-bisarylethane, and 1,1, 1-trifluoro-2, 2-bisarylethane 中央硝子株式会社 2021-09-14 CN claimed
CN-113412299-B Polyamic acid and polyimide, optical film and display device, and method for producing same 中央硝子株式会社 2023-08-18 CN disclosed
CN-115803364-A Polyamide, polyamideimide and derivative thereof, optical film and display device, and method for producing them 中央硝子株式会社 2023-03-14 CN disclosed
CN-113412299-A Polyamic acid and polyimide, optical film and display device, and method for producing same 中央硝子株式会社 2021-09-17 CN disclosed
CN-113396137-A Method for producing 1,1, 1-trifluoro-2, 2-bisarylethane, and 1,1, 1-trifluoro-2, 2-bisarylethane 中央硝子株式会社 2021-09-14 CN disclosed