SCHEMBL9697147

SCHEMBL9697147

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.67
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RORC P51449 5/20 0.38
KCNK3 O14649 2/20 0.38
GFER P55789 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 1/20 0.34

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
SCHEMBL1514805 0.80 KMT2A (1.00) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9696399 0.79 KMT2A (0.45) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9696143 0.78 KMT2A (0.53) KMT2AKDM4EALDH1A1TDP1RORC
SCHEMBL9696167 0.76 KMT2A (0.43) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL9696229 0.76 KMT2A (0.43) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL9696274 0.72 KMT2A (0.39) KMT2A
SCHEMBL9696283 0.72 KMT2A (0.39) KMT2A
SCHEMBL9697128 0.72 KMT2A (0.39) KMT2A
SCHEMBL9697349 0.71 KMT2A (0.39) KMT2A
SCHEMBL9697344 0.71 KMT2A (0.39) KMT2A

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