SCHEMBL30003182

SCHEMBL30003182

CCCCOc1c2c(c(OCCCC)c3ccccc13)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.45
LTA4H P09960 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 2/20 0.38
PABPC1 P11940 2/20 0.38

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
SCHEMBL23271923 1.00 PTGER4 (0.45) PTGER4LTA4HCYP1A2CYP2C9CYP2C19
SCHEMBL23271649 0.94 SMN1; SMN2 (0.42) PTGER4LTA4HCYP1A2CYP2C9CYP2C19
SCHEMBL30003096 0.94 SMN1; SMN2 (0.42) PTGER4LTA4HCYP1A2CYP2C9CYP2C19
SCHEMBL23271836 0.93 FAAH (0.44) PTGER4LTA4HKDM4EALDH1A1HPGD
SCHEMBL30003092 0.93 FAAH (0.44) PTGER4LTA4HKDM4EALDH1A1HPGD
SCHEMBL23271698 0.91 KDM4E (0.47) PTGER4CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL30004258 0.91 KDM4E (0.47) PTGER4CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL30003141 0.83 PTGER4 (0.48) PTGER4CYP1A2KDM4EALDH1A1HPGD
SCHEMBL23271833 0.83 PTGER4 (0.48) PTGER4CYP1A2KDM4EALDH1A1HPGD
SCHEMBL442080 0.82 LTA4H (0.52) LTA4HCYP1A2CYP2C9CYP2C19KDM4E

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