SCHEMBL30003141

SCHEMBL30003141

CCOc1c2c(c(OCC)c3ccccc13)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.48
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.36
MPO P05164 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL23271833 1.00 PTGER4 (0.48) PTGER4ALDH1A1KDM4EPOLBGAA
SCHEMBL30003516 0.93 ALDH1A1 (0.47) PTGER4ALDH1A1KDM4EPOLBGAA
SCHEMBL23271880 0.93 ALDH1A1 (0.47) PTGER4ALDH1A1KDM4EPOLBGAA
SCHEMBL14295095 0.91 PTGER4 (0.43) PTGER4ALDH1A1KDM4EPOLBGAA
SCHEMBL30004258 0.85 KDM4E (0.47) PTGER4ALDH1A1KDM4EPOLBGAA
SCHEMBL23271698 0.85 KDM4E (0.47) PTGER4ALDH1A1KDM4EPOLBGAA
SCHEMBL23271923 0.83 PTGER4 (0.45) PTGER4ALDH1A1KDM4EPOLBGAA
SCHEMBL30003182 0.83 PTGER4 (0.45) PTGER4ALDH1A1KDM4EPOLBGAA
SCHEMBL23271646 0.82 PTGER4 (0.46) PTGER4ALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL30003482 0.82 PTGER4 (0.46) PTGER4ALDH1A1KDM4ECYP1A2CYP2D6

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