SCHEMBL9417007

SCHEMBL9417007

CC(=Cc1cc(CN(C)CCO)cc(C)c1O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
TMEM97 Q5BJF2 3/20 0.33
SIGMAR1 Q99720 3/20 0.33
APP P05067 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33

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
SCHEMBL9417069 0.91 KDM4E (0.43) KDM4EGAAMAPTALOX5PTGS1
SCHEMBL9416986 0.89 HTT (0.41) KDM4EMAPTALOX5PTGS1PTGS2
SCHEMBL9417050 0.86 ALDH1A1 (0.39) KDM4EGAAMAPTALOX5PTGS1
SCHEMBL9416939 0.85 PTGS2 (0.37) KDM4EGAAMAPTALOX5PTGS1
SCHEMBL9417080 0.85 PTGS2 (0.38) KDM4EGAAMAPTALOX5PTGS1
SCHEMBL9417017 0.78 DRD2 (0.40) ALOX5PTGS1PTGS2APP
SCHEMBL9416974 0.77 ALOX5 (0.32) ALOX5PTGS1PTGS2
SCHEMBL9417117 0.76 ALOX5 (0.32) KDM4EGAAMAPTALOX5PTGS1
SCHEMBL9416952 0.74 LMNA (0.40) KDM4EGAAMAPTSMN1; SMN2SIGMAR1
SCHEMBL9417113 0.73 ALOX5 (0.35) ALOX5PTGS1PTGS2

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-5358652-A Using 3,5-dihydrocarbyl-4-hydroxybenzylamine compound ETHYL PETROLEUM ADDITIVES, LIMITED (GB) 1994-10-25 US disclosed