SCHEMBL28981995

SCHEMBL28981995

C=C(C)C(=O)OCC.CN(C)c1c2ccccc2cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 3/20 0.39
CDC25B P30305 4/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CASP1 P29466 1/20 0.36
NR1I2 O75469 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
Anthracene SCHEMBL18662368 0.84 ALDH1A1 (0.51) KDM4ENPSR1ALDH1A1MAPTHPGD
SCHEMBL28982000 0.83 MCL1 (0.40) KDM4ENPSR1ALDH1A1MAPTHPGD
Naphthalene SCHEMBL27457568 0.81 ALDH1A1 (0.54) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL28982007 0.76 CYP1A2 (0.48) KDM4EALDH1A1MAPTHPGDCDC25B
SCHEMBL6832199 0.76 KDM4E (0.46) KDM4ENPSR1ALDH1A1MAPTHPGD
SCHEMBL29625710 0.76 EPHX1 (0.49) KDM4ENPSR1ALDH1A1MAPTHPGD
SCHEMBL216321 0.76 EPHX1 (0.49) KDM4ENPSR1ALDH1A1MAPTHPGD
SCHEMBL6837940 0.76 KDM4E (0.48) KDM4ENPSR1ALDH1A1MAPTHPGD
SCHEMBL31414083 0.75 KDM4E (0.41) KDM4ENPSR1ALDH1A1MAPTHPGD
SCHEMBL30259642 0.75 KDM4E (0.39) KDM4ENPSR1ALDH1A1MAPTHPGD

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-115916695-A Carbon material dispersion liquid 大日精化工业株式会社 2023-04-04 CN disclosed