SCHEMBL9417050

SCHEMBL9417050

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALOX5 P09917 2/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
GAA P10253 2/20 0.36
GSR P00390 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
G6PC1 P35575 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TTR P02766 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
ACHE P22303 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 0.92 KDM4E (0.43) ALDH1A1TSHRMAPTALOX5PTGS1
SCHEMBL9417080 0.90 PTGS2 (0.38) MAPTALOX5PTGS1PTGS2GAA
SCHEMBL9416939 0.88 PTGS2 (0.37) MAPTALOX5PTGS1PTGS2GAA
SCHEMBL9417007 0.86 KDM4E (0.36) MAPTALOX5PTGS1PTGS2GAA
SCHEMBL9416986 0.85 HTT (0.41) ALDH1A1TSHRLMNAMAPTALOX5
SCHEMBL9417017 0.81 DRD2 (0.40) ALOX5PTGS1PTGS2
SCHEMBL9417117 0.81 ALOX5 (0.32) ALDH1A1LMNAMAPTALOX5PTGS1
SCHEMBL9416974 0.80 ALOX5 (0.32) ALOX5PTGS1PTGS2
SCHEMBL9416952 0.79 LMNA (0.40) ALDH1A1TSHRLMNAMAPTGAA
SCHEMBL9417018 0.78 ALOX5 (0.35) ALOX5PTGS1PTGS2TTR

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