SCHEMBL27738457

SCHEMBL27738457

CC(C)N(c1ccc(Br)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALOX5 P09917 1/20 0.35
MAOA P21397 1/20 0.34
PYCR1 P32322 2/20 0.34
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PTBP1 P26599 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KLF5 Q13887 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL20438385 0.86 ALDH1A1 (0.39) ALDH1A1MAOAALOX15MAPK1
SCHEMBL12304286 0.78 ALDH1A1 (0.35) ALDH1A1ALOX15KDM4EMAPTHTT
SCHEMBL20438389 0.78 SMN1; SMN2 (0.37) ALDH1A1ALOX15LMNAMAPTHTT
SCHEMBL5294663 0.77 TAAR1 (0.41) CYP2A6ALDH1A1CES2CES1ALOX5
SCHEMBL819703 0.76 ALDH1A1 (0.50) ALDH1A1CES1MAOAMAPK1LMNA
SCHEMBL6649994 0.75 ALOX5 (0.34) CYP2A6ALDH1A1ALOX5MAOAPYCR1
SCHEMBL924268 0.74 TDP1 (0.52) ALDH1A1ALOX15MAPK1KDM4ELMNA
SCHEMBL6030612 0.74 ESR1 (0.46) ALDH1A1ALOX15TAAR1KDM4ENPC1
SCHEMBL5018098 0.74 TYR (0.41) ALDH1A1PYCR1KDM4ELMNAMAPT
SCHEMBL28535945 0.74 ALDH1A1 (0.43) CYP2A6ALDH1A1CES1ALOX15MAPK1

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-106109224-B A kind of middle burnt logical tune therapeutic equipment and its preparation method of use and critical component 史文凌 2018-03-13 CN claimed
CN-113631609-B Compositions based on methacrylate monomers 博斯蒂克股份公司 2024-03-12 CN disclosed
CN-117337310-A Composition based on (meth) acrylate monomers and zinc salts 博斯蒂克股份公司 2024-01-02 CN disclosed
CN-116472297-A Two-component adhesive compositions based on itaconate monomers 博斯蒂克股份公司 2023-07-21 CN disclosed
CN-114729231-A Compositions made from (meth) acrylate monomers 波士胶公司 2022-07-08 CN disclosed
CN-112912454-A Reworkable adhesive composition 汉高股份有限及两合公司 2021-06-04 CN disclosed
CN-112437797-A Flame retardant adhesive composition 汉高股份有限及两合公司 2021-03-02 CN disclosed
CN-106109224-B A kind of middle burnt logical tune therapeutic equipment and its preparation method of use and critical component 史文凌 2018-03-13 CN disclosed
CN-103254240-A Metal complexes of cyclometallated imidazo[1,2-f]phenanthridine and diimidazo[1,2-a:1',2'-c]quinazoline ligands and isoelectronic and benzannulated analogs thereof UNIVERSAL DISPLAY CORP 2013-08-21 CN disclosed
CN-101415718-A Cyclometallated imidazo [1 ] s UNIVERSAL DISPLAY CORP (US) 2009-04-22 CN disclosed