SCHEMBL30002991

SCHEMBL30002991

Cc1c(C)c(OCCO)c2ccccc2c1OCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
RECQL P46063 1/20 0.48
IDO1 P14902 1/20 0.47
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NR1I2 O75469 1/20 0.36
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
TACR2 P21452 1/20 0.35
TACR3 P29371 1/20 0.35
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL23271772 1.00 ALDH1A1 (0.48) ALDH1A1RECQLIDO1KDM4EMAPK1
SCHEMBL14396286 0.90 ALDH1A1 (0.47) ALDH1A1RECQLIDO1KDM4EMAPK1
SCHEMBL755890 0.87 ALDH1A1 (0.56) ALDH1A1RECQLIDO1KDM4EMAPK1
SCHEMBL29565866 0.87 ALDH1A1 (0.56) ALDH1A1RECQLIDO1KDM4EMAPK1
SCHEMBL23271639 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EMAPK1SMN1; SMN2GAA
SCHEMBL25240792 0.81 ALDH1A1 (0.50) ALDH1A1RECQLIDO1KDM4EMAPK1
SCHEMBL23271780 0.80 EPHX2 (0.47) ALDH1A1RECQLIDO1KDM4EMAPK1
SCHEMBL30004176 0.80 EPHX2 (0.47) ALDH1A1RECQLIDO1KDM4EMAPK1
SCHEMBL25276325 0.79 ALDH1A1 (0.48) ALDH1A1RECQLIDO1KDM4EMAPK1
SCHEMBL31599158 0.79 ALDH1A1 (0.48) ALDH1A1RECQLIDO1KDM4EMAPK1

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