SCHEMBL9696167

SCHEMBL9696167

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.33
KCNK3 O14649 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9697138 0.81 KMT2A (0.34) KMT2AKDM4EKCNK3ALDH1A1TDP1
SCHEMBL9696229 0.77 KMT2A (0.43) KMT2AKDM4EKCNK3ALDH1A1LMNA
SCHEMBL9697147 0.76 KMT2A (0.67) KMT2AKDM4EKCNK3ALDH1A1LMNA
SCHEMBL9696399 0.75 KMT2A (0.45) KMT2AKDM4EKCNK3ALDH1A1LMNA
SCHEMBL9697128 0.70 KMT2A (0.39) KMT2A
SCHEMBL9696274 0.66 KMT2A (0.39) KMT2A
SCHEMBL9696283 0.66 KMT2A (0.39) KMT2A
SCHEMBL9697349 0.66 KMT2A (0.39) KMT2A
SCHEMBL9780839 0.63 ALDH1A1 (0.34) KMT2AKCNK3ALDH1A1
SCHEMBL9696155 0.63 KMT2A (0.35) KMT2AKDM4EKCNK3ALDH1A1TDP1

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