SCHEMBL28700615

SCHEMBL28700615

COCCC(CCc1ccccc1)(CCc1ccccc1)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KCNH2 Q12809 1/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TAAR1 Q96RJ0 3/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 4/20 0.35
CYP2A6 P11509 1/20 0.34
HTR2A P28223 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL28374145 0.83 TAAR1 (0.41) KDM4ELMNAALDH1A1TAAR1SMN1; SMN2
SCHEMBL8569313 0.78 IDO1 (0.41) KDM4ELMNAIDO1TAAR1CYP2A6
SCHEMBL58391 0.75 KDM4E (0.49) KDM4ELMNAIDO1ALDH1A1HPGD
SCHEMBL29174545 0.74 KCNH2 (0.36) ALDH1A1KCNH2HPGDALOX15ALOX12
SCHEMBL7277922 0.74 TP53 (0.44) IDO1ALDH1A1HPGDALOX15ALOX12
SCHEMBL6554382 0.74 ALDH1A1 (0.42) IDO1ALDH1A1HPGDALOX15ALOX12
Methoxymethane SCHEMBL19924624 0.73 KDM4E (0.47) KDM4ELMNAIDO1ALDH1A1HPGD
Fluoride SCHEMBL28760319 0.73 KDM4E (0.47) KDM4ELMNAIDO1ALDH1A1HPGD
SCHEMBL19509051 0.72 ALDH1A1 (0.41) LMNAIDO1ALDH1A1HPGDALOX15
SCHEMBL90811 0.71 IDO1 (0.61) KDM4ELMNAIDO1ALDH1A1TDP1

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-114106222-A Catalyst system for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2022-03-01 CN claimed