SCHEMBL9696399

SCHEMBL9696399

CC(C)c1c(C=O)c(-c2ccc(F)cc2)n2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
KDM4E B2RXH2 2/20 0.34
KCNK3 O14649 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TGFBR1 P36897 1/20 0.31
SLC2A1 P11166 1/20 0.31
MEN1 O00255 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
SCHEMBL9696229 0.84 KMT2A (0.43) KMT2APTGS2PTGS1KDM4EKCNK3
SCHEMBL9697147 0.79 KMT2A (0.67) KMT2AKDM4EKCNK3ALDH1A1LMNA
SCHEMBL9695099 0.79 PTGS2 (0.39) KMT2APTGS2PTGS1KCNK3ALDH1A1
SCHEMBL9696167 0.75 KMT2A (0.43) KMT2AKDM4EKCNK3ALDH1A1LMNA
SCHEMBL9764130 0.68 LMNA (0.34) KMT2APTGS2KDM4EALDH1A1LMNA
SCHEMBL9697139 0.67 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL9764105 0.66 MEN1 (0.39) KMT2APTGS2PTGS1KDM4EALDH1A1
SCHEMBL10335177 0.65 KMT2A (0.36) KMT2APTGS2PTGS1KDM4EALDH1A1
SCHEMBL9696155 0.65 KMT2A (0.35) KMT2APTGS2PTGS1KDM4EKCNK3
SCHEMBL9764313 0.65 PTGS2 (0.43) PTGS2KDM4EALDH1A1LMNATDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5124453-A Treatment of corresponding aldehyde with lithium bis(tri-methylsilyl)amide E. R. SQUIBB & SONS, INC. (US) 1992-06-23 US disclosed
EP-0444532-A1 Phosphorus-containing HMG-CoA reductase inhibitors, new intermediates and method E.R. SQUIBB & SONS, INC. (US) 1991-09-04 EP disclosed
US-5025000-A Anticholesterol, antilipemic agents E. R. SQUIBB & SONS, INC. (US) 1991-06-18 US disclosed