SCHEMBL8310541

SCHEMBL8310541

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.35
ERN1 O75460 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL8309467 0.79 GAA (0.35) ALDH1A1GAA
SCHEMBL6218614 0.75 MAPT (0.33) CES2CES1
SCHEMBL546258 0.74 ERN1 (0.39) ALBERN1ALDH1A1
SCHEMBL8310539 0.73 ALB (0.38) ALBERN1ALDH1A1CES2CES1
SCHEMBL9539465 0.72 ESR1 (0.45) ALBALDH1A1GAACES2CES1
SCHEMBL2192842 0.71 TRPA1 (0.36) ALDH1A1GAA
SCHEMBL8309462 0.71 ALB (0.36) ALBERN1ALDH1A1CES2CES1
SCHEMBL20046459 0.71 ABL1 (0.46) ERN1ALDH1A1GAACES2CES1
SCHEMBL5669068 0.70 MEN1 (0.40) ERN1ALDH1A1
SCHEMBL27396426 0.70 TRPA1 (0.39) ALBERN1ALDH1A1

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