SCHEMBL30003482

SCHEMBL30003482

CCOc1c2c(c(OCC)c3ccccc13)CC=CC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.46
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ELANE P08246 1/20 0.38
LTA4H P09960 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
NQO1 P15559 1/20 0.36
SLC2A1 P11166 1/20 0.35
MPO P05164 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL23271646 1.00 PTGER4 (0.46) PTGER4ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL30003187 0.93 ALDH1A1 (0.48) PTGER4ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL23271839 0.93 ALDH1A1 (0.48) PTGER4ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL30004147 0.86 PTGER4 (0.41) PTGER4ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL23271735 0.86 PTGER4 (0.41) PTGER4ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL23271669 0.85 PTGER4 (0.43) PTGER4ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL30002663 0.85 PTGER4 (0.43) PTGER4ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL23271859 0.82 FAAH (0.48) PTGER4ALDH1A1MAPK1LTA4HMAPT
SCHEMBL51657 0.82 ALDH1A1 (0.50) PTGER4ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL29366895 0.82 ALDH1A1 (0.50) PTGER4ALDH1A1KDM4EMAPK1SMN1; SMN2

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