Sugi Predict

Sugi Predict / Compounds / SCHEMBL8092645

SCHEMBL8092645

SCHEMBL8092645

CCOc1c(S(C)(=O)=O)ccc(C(=O)C2C(=O)CCCC2=O)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP1A2 P05177 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ IKBKB O14920 3/20 0.37
▸ POLB P06746 1/20 0.36

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
SCHEMBL8848046 0.91 ALDH1A1 (0.44) ALDH1A1MAPK1HTTCYP1A2MAPT
SCHEMBL1132469 0.89 ALDH1A1 (0.40) ALDH1A1MAPK1HTTIKBKBPOLB
SCHEMBL1963503 0.88 PDE4D (0.35) ALDH1A1MAPK1HTT
SCHEMBL8848531 0.87 ALDH1A1 (0.41) ALDH1A1MAPK1HTTCYP1A2MAPT
SCHEMBL24375559 0.84 GNRHR (0.32) ALDH1A1MAPK1HTT
SCHEMBL30230145 0.84 ALDH1A1 (0.31) ALDH1A1MAPK1HTT
SCHEMBL12269385 0.83 ALDH1A1 (0.33) ALDH1A1MAPK1HTTCYP1A2MAPT
SCHEMBL9134805 0.82 HPD (0.37) CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL30466680 0.82 SCN9A (0.40) ALDH1A1MAPK1HTTMAPT
SCHEMBL6479779 0.81 MAPK1 (0.33) ALDH1A1MAPK1HTTMAPT

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-1053679-A1 Herbicidal compositions AVENTIS CROPSCIENCE S.A. (FR) 2000-11-22 — — EP disclosed