SCHEMBL30004166

SCHEMBL30004166

COc1c2c(c(OC)c3ccccc13)CC=CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
POLB P06746 1/20 0.43
CYP1A2 P05177 4/20 0.39
CYP2C9 P11712 1/20 0.39
IDO1 P14902 1/20 0.39
CYP2C19 P33261 1/20 0.38
MCL1 Q07820 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 1/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7793875 1.00 KDM4E (0.61) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL23271839 0.89 ALDH1A1 (0.48) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL30003187 0.89 ALDH1A1 (0.48) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL23271962 0.83 SMN1; SMN2 (0.42) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL15926953 0.83 KDM4E (0.42) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL30003453 0.83 SMN1; SMN2 (0.42) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL30003482 0.78 PTGER4 (0.46) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL23271646 0.78 PTGER4 (0.46) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL23271852 0.77 ALDH1A1 (0.61) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL30003354 0.77 ALDH1A1 (0.61) KDM4EALDH1A1MAPK1SMN1; SMN2POLB

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