SCHEMBL28123738

SCHEMBL28123738

C=Cc1cccc2ccccc12.C=Cc1ccccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
NFE2L2 Q16236 4/20 0.43
TRPA1 O75762 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
GCGR P47871 1/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
TFEB P19484 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL28290186 0.89 ALDH1A1 (0.41) MAPTCYP1A1CYP1B1NFE2L2TRPA1
SCHEMBL14909 0.85 NFE2L2 (0.55) MAPTCYP1A1CYP1B1NFE2L2TRPA1
SCHEMBL29377009 0.85 NFE2L2 (0.55) MAPTCYP1A1CYP1B1NFE2L2TRPA1
SCHEMBL10693516 0.84 SIRT2 (0.42) MEN1KMT2AALDH1A1KDM4E
Benzene SCHEMBL28154477 0.83 NFE2L2 (0.59) MAPTCYP1A1CYP1B1NFE2L2TRPA1
SCHEMBL27542758 0.83 NFE2L2 (0.53) MAPTCYP1A1CYP1B1NFE2L2TRPA1
Hydrogen Sulfide SCHEMBL27500079 0.83 NFE2L2 (0.53) MAPTCYP1A1CYP1B1NFE2L2TRPA1
SCHEMBL31610342 0.83 SIRT2 (0.50) MEN1KMT2AALDH1A1CYP3A4CYP1A2
SCHEMBL14912 0.83 SIRT2 (0.50) MEN1KMT2AALDH1A1CYP3A4CYP1A2
SCHEMBL6863260 0.83 SIRT2 (0.50) MEN1KMT2AALDH1A1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110305273-A Block copolymer composition and adhesion adhesive composition 旭化成株式会社 2019-10-08 CN disclosed
CN-105934445-B Block copolymer composition and adhesion adhesive composition 旭化成株式会社 2017-11-17 CN disclosed
CN-103563130-B Battery electrode or dividing plate coating agent composition 日本合成化学工业株式会社 2017-03-15 CN disclosed
CN-106457688-A Support material for laminated molding, laminated molded article using same, and method for producing laminated molded article 日本合成化学工业株式会社 2017-02-22 CN disclosed
CN-104471010-B Block copolymer composition for adhesive and adhesive composition 旭化成株式会社 2016-10-12 CN disclosed
CN-105934445-A Block copolymer composition and adhesive composition 旭化成株式会社 2016-09-07 CN disclosed