SCHEMBL30003092

SCHEMBL30003092

CCCCCCCCCCCCOc1c2c(c(OCCCCCCCCCCCC)c3ccccc13)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
PTGER4 P35408 2/20 0.41
LTA4H P09960 2/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NTSR1 P30989 1/20 0.40
NLRP3 Q96P20 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL23271836 1.00 FAAH (0.44) FAAHMGLLPTGER4LTA4HALDH1A1
SCHEMBL23271923 0.93 PTGER4 (0.45) PTGER4LTA4HALDH1A1MEN1KMT2A
SCHEMBL30003182 0.93 PTGER4 (0.45) PTGER4LTA4HALDH1A1MEN1KMT2A
SCHEMBL30004258 0.88 KDM4E (0.47) PTGER4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL23271698 0.88 KDM4E (0.47) PTGER4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL23271649 0.87 SMN1; SMN2 (0.42) PTGER4LTA4HALDH1A1MEN1KMT2A
SCHEMBL30003096 0.87 SMN1; SMN2 (0.42) PTGER4LTA4HALDH1A1MEN1KMT2A
SCHEMBL19583374 0.84 FAAH (0.53) FAAHMGLLLTA4HALDH1A1MEN1
SCHEMBL15513545 0.84 FAAH (0.53) FAAHMGLLLTA4HALDH1A1MEN1
SCHEMBL20398511 0.84 FAAH (0.53) FAAHMGLLLTA4HALDH1A1MEN1

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