SCHEMBL9212802

SCHEMBL9212802

O=C(O)COC(=O)OCCI

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 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 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
SCHEMBL3815708 0.84 ALDH1A1 (0.40) THPOALDH1A1
SCHEMBL3182447 0.82 TSHR (0.47) TSHRCTHCBSTHPOTHRB
SCHEMBL1844506 0.80 THPO (0.38) TSHRCTHCBSTHPOTHRB
SCHEMBL10495649 0.79 TSHR (0.45) TSHRCTHCBSTHPOTHRB
SCHEMBL9215552 0.76 TSHR (0.35) TSHRCTHCBSTHPOTHRB
SCHEMBL2969501 0.73
SCHEMBL31112237 0.73 ALDH1A1 (0.43) TSHRALDH1A1
SCHEMBL3823118 0.72
SCHEMBL3815703 0.71
SCHEMBL17681573 0.70 ALDH1A1 (0.68) TSHRCTHCBSTHPOTHRB

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