SCHEMBL30003417

SCHEMBL30003417

COc1c(C)c(C)c(OC)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.74
ALDH1A1 P00352 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
MAPK1 P28482 1/20 0.74
POLB P06746 1/20 0.50
CYP1A2 P05177 4/20 0.48
IDO1 P14902 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.44
MCL1 Q07820 1/20 0.42
CA4 P22748 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPT P10636 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38

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
SCHEMBL14349080 1.00 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL22788818 0.90 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL28814564 0.87 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL9812637 0.87 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL755681 0.86 KDM4E (0.79) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL30660758 0.86 KDM4E (0.79) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL29366129 0.85 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL52405 0.85 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL13079412 0.84 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL14349075 0.84 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2MAPK1POLB

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed