SCHEMBL8310539

SCHEMBL8310539

Cc1c(C(=O)S)ccc(F)c1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.38
CES2 O00748 4/20 0.38
CES1 P23141 4/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 1/20 0.35
ERN1 O75460 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GRM1 Q13255 1/20 0.32
KDM1A O60341 1/20 0.32
CD38 P28907 1/20 0.31
PIK3CA P42336 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
SCHEMBL8309462 0.77 ALB (0.36) ALBCES2CES1MEN1KMT2A
SCHEMBL20046459 0.77 ABL1 (0.46) CES2CES1HSD17B10ERN1NPC1
SCHEMBL6445788 0.76 CES2 (0.38) CES2CES1KMT2ANPC1HTT
SCHEMBL8310541 0.73 ALB (0.35) ALBCES2CES1ERN1ALDH1A1
SCHEMBL9539463 0.73 ESR1 (0.51) ALBCES2CES1MEN1KMT2A
SCHEMBL8309467 0.73 GAA (0.35) MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL546258 0.73 ERN1 (0.39) ALBERN1ALDH1A1ESR1ESR2
SCHEMBL28452343 0.70 ALDH1A1 (0.36) MEN1KMT2AHSD17B10NPC1ALDH1A1
SCHEMBL26103998 0.69 MAPT (0.45) ALBCES2CES1MEN1KMT2A
SCHEMBL15285575 0.69 ALB (0.53) ALBHSD17B10ALDH1A1GRM1

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
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed