SCHEMBL28267752

SCHEMBL28267752

C=COC(C)=O.C=Cc1cccc2cc3ccccc3cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 2/20 0.44
PKM P14618 2/20 0.44
MAPK1 P28482 2/20 0.44
MITF O75030 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 4/20 0.40
GAA P10253 1/20 0.40
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL27995843 0.84 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTCYP1A2
Anthracene SCHEMBL28971423 0.81 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL29891468 0.81 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL27113 0.81 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL28130415 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL2701544 0.79 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL1167375 0.79 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTCYP1A2
Benzene SCHEMBL28075690 0.79 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTCYP1A2
Acrylic Acid SCHEMBL28600063 0.79 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL3627097 0.79 KMT2A (0.41) ALDH1A1MEN1KMT2AMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109195999-A Curable composition for photoimprint and pattern forming method using same DIC株式会社 2019-01-11 CN disclosed