SCHEMBL30003198

SCHEMBL30003198

Cc1ccc2c(OC(=O)OC(C)C)c3ccccc3c(OC(=O)OC(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
ELANE P08246 1/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
EPHX2 P34913 1/20 0.38
HPGD P15428 1/20 0.37
LDHA P00338 1/20 0.36
ALB P02768 1/20 0.36
LDHB P07195 1/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
P2RX4 Q99571 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
SCHEMBL20398665 1.00 KDM4E (0.41) KDM4EMAPTALDH1A1PKMELANE
SCHEMBL31080899 0.95 KDM4E (0.43) KDM4EMAPTALDH1A1PKMHSD17B10
SCHEMBL20398535 0.95 KDM4E (0.43) KDM4EMAPTALDH1A1PKMHSD17B10
SCHEMBL20398704 0.95 KDM4E (0.43) KDM4EMAPTALDH1A1PKMHSD17B10
SCHEMBL31080963 0.95 KDM4E (0.43) KDM4EMAPTALDH1A1PKMHSD17B10
SCHEMBL20398613 0.88 KDM4E (0.43) KDM4EMAPTALDH1A1ELANEHTT
SCHEMBL31080863 0.88 KDM4E (0.43) KDM4EMAPTALDH1A1ELANEHTT
SCHEMBL30003450 0.87 TSHR (0.43) KDM4EMAPTALDH1A1ELANEHTT
SCHEMBL20398675 0.87 TSHR (0.43) KDM4EMAPTALDH1A1ELANEHTT
SCHEMBL23271908 0.86 CYP2A6 (0.39) KDM4EMAPTALDH1A1PKMELANE

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