SCHEMBL30002663

SCHEMBL30002663

CCCCOc1c2c(c(OCCCC)c3ccccc13)CC=CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.43
LTA4H P09960 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
METAP2 P50579 1/20 0.38
SLC2A1 P11166 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37

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
SCHEMBL23271669 1.00 PTGER4 (0.43) PTGER4LTA4HCYP1A2CYP2C9CYP2C19
SCHEMBL23271962 0.94 SMN1; SMN2 (0.42) PTGER4LTA4HCYP1A2CYP2C9CYP2C19
SCHEMBL30003453 0.94 SMN1; SMN2 (0.42) PTGER4LTA4HCYP1A2CYP2C9CYP2C19
SCHEMBL23271859 0.93 FAAH (0.48) PTGER4LTA4HCYP2C9FAAHMGLL
SCHEMBL23271735 0.91 PTGER4 (0.41) PTGER4CYP1A2CYP2C19FAAHMGLL
SCHEMBL30004147 0.91 PTGER4 (0.41) PTGER4CYP1A2CYP2C19FAAHMGLL
SCHEMBL23271646 0.85 PTGER4 (0.46) PTGER4LTA4HCYP1A2MAPTSLC2A1
SCHEMBL30003482 0.85 PTGER4 (0.46) PTGER4LTA4HCYP1A2MAPTSLC2A1
SCHEMBL442080 0.82 LTA4H (0.52) LTA4HCYP1A2CYP2C9CYP2C19FAAH
SCHEMBL29363526 0.82 LTA4H (0.52) LTA4HCYP1A2CYP2C9CYP2C19FAAH

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