SCHEMBL30004258

SCHEMBL30004258

CCCOc1c2c(c(OCCC)c3ccccc13)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTGER4 P35408 3/20 0.44
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
PLA2G1B P04054 1/20 0.43
POLB P06746 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 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
SCHEMBL23271698 1.00 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL30003182 0.91 PTGER4 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL23271923 0.91 PTGER4 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL30003092 0.88 FAAH (0.44) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL23271836 0.88 FAAH (0.44) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL23271649 0.85 SMN1; SMN2 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL30003096 0.85 SMN1; SMN2 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL23271833 0.85 PTGER4 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2PTGER4
SCHEMBL30003141 0.85 PTGER4 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2PTGER4
SCHEMBL23271657 0.84 TSHR (0.40) KDM4EALDH1A1HPGDSMN1; SMN2MEN1

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