SCHEMBL9417080

SCHEMBL9417080

CC(=Cc1cc(CN(Cc2cc(C)c(O)c(C=C(C)c3ccccc3)c2)Cc2cc(C)c(O)c(C=C(C)c3ccccc3)c2)cc(C)c1O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.38
PTGS1 P23219 3/20 0.38
ALOX5 P09917 2/20 0.38
G6PC1 P35575 1/20 0.35
PTPN1 P18031 1/20 0.35
TTR P02766 2/20 0.34
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
DEGS1 O15121 1/20 0.31

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
SCHEMBL9416939 0.95 PTGS2 (0.37) PTGS2PTGS1ALOX5G6PC1PTPN1
SCHEMBL9416986 0.91 HTT (0.41) PTGS2PTGS1ALOX5G6PC1KDM4E
SCHEMBL9417050 0.90 ALDH1A1 (0.39) PTGS2PTGS1ALOX5G6PC1TTR
SCHEMBL9417069 0.90 KDM4E (0.43) PTGS2PTGS1ALOX5G6PC1TTR
SCHEMBL9417017 0.87 DRD2 (0.40) PTGS2PTGS1ALOX5
SCHEMBL9416974 0.86 ALOX5 (0.32) PTGS2PTGS1ALOX5
SCHEMBL9417007 0.85 KDM4E (0.36) PTGS2PTGS1ALOX5KDM4EGAA
SCHEMBL9417117 0.82 ALOX5 (0.32) PTGS2PTGS1ALOX5G6PC1TTR
SCHEMBL9416952 0.80 LMNA (0.40) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL9417018 0.79 ALOX5 (0.35) PTGS2PTGS1ALOX5TTRDEGS1

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