SCHEMBL8974400

SCHEMBL8974400

CC1(C)OC(=O)C(c2ccc(C(F)(F)F)cc2)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.52
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CETP P11597 4/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CPB1 P15086 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL4373385 0.80 ELANE (0.39) MEN1KMT2APGR
SCHEMBL4365447 0.78 POLB (0.44) HSD11B1MEN1KMT2ACYP3A4
SCHEMBL3585383 0.78 LMNA (0.37) MEN1KMT2A
SCHEMBL8592625 0.78 CA2 (0.43) MEN1KMT2AKDM1ACHRNA7SLC6A3
SCHEMBL3590175 0.77 DRD2 (0.41) BACE1HSD11B1
SCHEMBL26354558 0.71 ALDH1A1 (0.40)
SCHEMBL12746552 0.70 GLA (0.61) BACE1HSD11B1KMT2A
SCHEMBL13516187 0.69 BACE1 (1.00) BACE1HSD11B1KMT2A
SCHEMBL29223628 0.68 BACE1 (0.42) BACE1HSD11B1MEN1KMT2AKDM1A
SCHEMBL29223630 0.68 BACE1 (0.42) BACE1HSD11B1MEN1KMT2AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703899-A1 ARYLACETAMIDES, PROCESS FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE AS FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-04-03 EP disclosed
WO-1994029267-A1 ARYLACETAMIDES, PROCESS FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE AS FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1994-12-22 WO disclosed