SCHEMBL9215552

SCHEMBL9215552

O=C(O)COC(=O)OCCCl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
CTH P32929 1/20 0.35
CBS P35520 1/20 0.35
THPO P40225 1/20 0.35
THRB P10828 1/20 0.33
PAM P19021 3/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL575181 0.84 ALDH1A1 (0.40) TSHRALDH1A1
SCHEMBL3182447 0.82 TSHR (0.47) TSHRCTHCBSTHPOTHRB
SCHEMBL21611838 0.80 TSHR (0.38) TSHRCTHCBSTHPOTHRB
SCHEMBL10495649 0.79 TSHR (0.45) TSHRCTHCBSTHPOTHRB
SCHEMBL575094 0.77
SCHEMBL11530469 0.76 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL9212802 0.76 TSHR (0.35) TSHRCTHCBSTHPOTHRB
SCHEMBL11060272 0.76
SCHEMBL15180219 0.75 TSHR (0.41) TSHRALDH1A1
SCHEMBL9303937 0.74 SOAT1 (0.46) ALDH1A1

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-0681580-A1 PRODRUGS OF ANTIINFLAMMATORY 3-ACYL-2-OXINDOLE-1-CARBOXAMIDES. PFIZER HOSPITAL PROD (US) 1995-11-15 EP disclosed
WO-1994017061-A1 PRODRUGS OF ANTIINFLAMMATORY 3-ACYL-2-OXINDOLE-1-CARBOXAMIDES PFIZER INC. (US) 1994-08-04 WO disclosed