SCHEMBL9559166

SCHEMBL9559166

[CH2]CCCC[CH]c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PTGS1 P23219 1/20 0.41
NQO2 P16083 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
CYP2A6 P11509 1/20 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
SCHEMBL7705710 0.94 RELA (0.47) RELAALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL7702863 0.86 RELA (0.50) RELAALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL7493543 0.81 RELA (0.46) RELAALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL7805362 0.80 RELA (0.52) RELAALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL10317064 0.80 RELA (0.44) RELAALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL10316555 0.80 RELA (0.44) RELAALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL8670732 0.80 HDAC1 (0.47) RELAALDH1A1KDM4EL3MBTL1HDAC1
SCHEMBL536967 0.79 RELA (0.47) RELAALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL9819809 0.79 HDAC1 (0.56) RELAALDH1A1KDM4EL3MBTL1HDAC1
SCHEMBL9819805 0.79 HDAC1 (0.56) RELAALDH1A1KDM4EL3MBTL1HDAC1

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
US-5225091-A Ethylene alpha-olefin polymer substituted thiocarboxylic acid lubricant dispersant additives EXXON CHEMICAL PATENTS INC. (US) 1993-07-06 US disclosed