SCHEMBL3543754

SCHEMBL3543754

NC(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
SLC6A4 P31645 1/20 0.49
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
KEAP1 Q14145 1/20 0.41
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
ACP3 P15309 1/20 0.40
AOC3 Q16853 1/20 0.40
HTT P42858 1/20 0.39
CYP2A6 P11509 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL4851124 1.00 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2SLC6A4
SCHEMBL1683318 0.87 ALDH1A1 (0.60) ALDH1A1CYP2C9CYP2C19CYP1A2SLC6A4
Hydrochloric Acid SCHEMBL7425423 0.83 ALDH1A1 (0.49) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL5012390 0.83 ALDH1A1 (0.56) ALDH1A1CYP2C9CYP2C19CYP1A2SLC6A4
SCHEMBL9719141 0.79 DPP4 (0.55) DPP4F2ADRA2AADRA2C
SCHEMBL9473994 0.79 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2SLC6A4
SCHEMBL1000547 0.79 SLC6A4 (0.49) ALDH1A1CYP2C9CYP2C19CYP1A2SLC6A4
SCHEMBL40516 0.78 ALDH1A1 (0.56) ALDH1A1CYP2C9CYP2C19CYP1A2SLC6A4
SCHEMBL24017144 0.78 ALDH1A1 (0.60) ALDH1A1CYP2C9CYP2C19CYP1A2SLC6A4
SCHEMBL29887508 0.78 ALDH1A1 (0.60) ALDH1A1CYP2C9CYP2C19CYP1A2SLC6A4

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546275-B1 Curable epoxy resin compositions, epoxy resin compositions for the encapsulation of electronic parts, stabilizers for electrical insulating oils, and casting epoxy resin compositions for electrical insulation. DAICEL CORP (JP) 2023-09-20 EP disclosed
CN-111635334-B Method for generating nitrile by catalyzing primary amine acceptor-free dehydrogenation through Ru complex 四川大学 2021-11-30 CN disclosed
CN-108164423-B Preparation method of naftifine hydrochloride 福建金山准点制药有限公司 2021-07-13 CN disclosed
CN-108727213-B Preparation method of shakubiqu 中国科学院上海有机化学研究所 2021-06-08 CN disclosed
CN-111635334-A Method for generating nitrile by catalyzing primary amine acceptor-free dehydrogenation through Ru complex 四川大学 2020-09-08 CN disclosed
CN-111436428-A Application of naphthaline benzylamine antifungal drugs in prevention and treatment of agricultural diseases 兰州大学 2020-07-24 CN disclosed
US-20200199481-A1 GREASE COMPOSITIONS HAVING CALCIUM SULFONATE AND POLYUREA THICKENERS EXXONMOBIL RES & ENG CO (US) 2020-06-25 US disclosed
WO-2020131440-A1 GREASE COMPOSITIONS HAVING CALCIUM SULFONATE AND POLYUREA THICKENERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2020-06-25 WO disclosed
CN-108727213-A One planting sand library must be bent preparation method 中国科学院上海有机化学研究所 2018-11-02 CN disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
EP-0463773-B1 REFRIGERATOR OIL ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1993-09-08 EP disclosed
EP-0547870-A1 Lubricant for refrigerators and composition for refrigerators using said lubricant ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1993-06-23 EP disclosed
EP-0537983-A1 Lubricant for refrigerators ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1993-04-21 EP disclosed
EP-0527024-A1 Lubricant for refrigerators ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1993-02-10 EP disclosed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 US disclosed
EP-0448402-A2 Refrigerator oil composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1991-09-25 EP disclosed
US-5032305-A Ethers ASAHI DENKA KOGYO K.K. (JP) 1991-07-16 US disclosed
EP-0430657-A1 Lubricant for refrigerators ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1991-06-05 EP disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP disclosed
EP-0401969-A1 Lubricant for refrigerant ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1990-12-12 EP disclosed