SCHEMBL30002558

SCHEMBL30002558

CC(C)OC(=O)Oc1c2ccccc2cc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
GLA P06280 1/20 0.42
GPR84 Q9NQS5 1/20 0.40
CYP2C9 P11712 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ERN1 O75460 1/20 0.39
TSHR P16473 1/20 0.38
KCNJ11 Q14654 1/20 0.37

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
SCHEMBL23271668 1.00 KDM4E (0.42) KDM4ELMNATP53L3MBTL1ALDH1A1
SCHEMBL30003221 0.90 CYP2A6 (0.39) KDM4ELMNATP53L3MBTL1ALDH1A1
SCHEMBL23271908 0.90 CYP2A6 (0.39) KDM4ELMNATP53L3MBTL1ALDH1A1
SCHEMBL30003450 0.88 TSHR (0.43) KDM4ETP53ALDH1A1HPGDHSD17B10
SCHEMBL20398675 0.88 TSHR (0.43) KDM4ETP53ALDH1A1HPGDHSD17B10
SCHEMBL30003464 0.87 CYP1A2 (0.40) KDM4ELMNATP53L3MBTL1ALDH1A1
SCHEMBL23271963 0.87 CYP1A2 (0.40) KDM4ELMNATP53L3MBTL1ALDH1A1
SCHEMBL23271769 0.84 HSD17B10 (0.49) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL8060132 0.84 ALDH1A1 (0.52) KDM4EL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL28256576 0.82 KDM4E (0.39) KDM4ELMNATP53L3MBTL1ALDH1A1

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