SCHEMBL28880208

SCHEMBL28880208

Cc1cc(C=O)c(C)c2cc(C=O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
ALDH1A1 P00352 10/20 0.40
KDM4E B2RXH2 5/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
PTK2B Q14289 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A3 P47895 3/20 0.39
TSHR P16473 2/20 0.38
KIF11 P52732 2/20 0.37
PTGS2 P35354 1/20 0.36
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
PTGER4 P35408 1/20 0.35
AOX1 Q06278 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
SCHEMBL7726893 0.81 CYP2A6 (0.48) CYP2A6ALDH1A1KDM4ERAB9AMEN1
SCHEMBL7622984 0.79 CYP2A6 (0.46) CYP2A6ALDH1A1KDM4ERAB9AMEN1
SCHEMBL9838887 0.78 ALDH1A1 (0.52) CYP2A6ALDH1A1KDM4ERAB9AMEN1
SCHEMBL20296883 0.76 KIF11 (0.52) CYP2A6ALDH1A1KDM4ERAB9AMEN1
SCHEMBL14388339 0.76 CYP2A6 (0.40) CYP2A6ALDH1A1KDM4ERAB9AMEN1
SCHEMBL548633 0.73 ALDH1A1 (0.50) CYP2A6ALDH1A1KDM4ERAB9AHPGD
SCHEMBL1487642 0.73 KDM4E (0.43) CYP2A6ALDH1A1KDM4ERAB9AMEN1
SCHEMBL823127 0.73 ALDH1A1 (0.50) CYP2A6ALDH1A1KDM4ERAB9AMEN1
SCHEMBL29818896 0.73 ALDH1A1 (0.50) CYP2A6ALDH1A1KDM4ERAB9AHPGD
SCHEMBL1313141 0.72 ALDH1A1 (0.42) ALDH1A1KDM4ERAB9AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112334795-A Liquid composition, quantum dot-containing film, optical film, light-emitting display element panel, and light-emitting display device 东京应化工业株式会社 2021-02-05 CN disclosed
CN-106575080-B Energy-sensitive resin composition 东京应化工业株式会社 2020-08-11 CN disclosed
CN-105579907-B Radiation-sensitive composition and pattern production method 东京应化工业株式会社 2019-12-17 CN disclosed