SCHEMBL10367649

SCHEMBL10367649

C#COC(=O)OCCOC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ADORA2A P29274 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3860687 0.80
SCHEMBL302273 0.78 TSHR (0.48) TSHRADORA2AALDH1A1
SCHEMBL7363282 0.77 ALDH1A1 (0.50) TSHRALDH1A1
SCHEMBL21610937 0.76 THRB (0.52) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL9998254 0.76 TSHR (0.46) TSHRADORA2AALDH1A1
SCHEMBL22170059 0.75 KDM4E (0.31) ALDH1A1
SCHEMBL2051350 0.75
SCHEMBL577006 0.74
SCHEMBL2399346 0.74 TSHR (0.45) TSHRADORA2AALDH1A1
SCHEMBL21525736 0.74 NAAA (0.52) TSHRALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104671-B1 OXIME DERIVATIVES OF 3-ALKYLOXY OR 3-ALKYLTHIOMETHYL-7-AMINO-THIAZOLYLACETAMIDO-CEPHALOSPORANIC ACID, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed
EP-0076528-B1 OXIME DERIVATIVES OF 3-ALKYLOXY OR 3-ALKYLTHIOMETHYL 7-AMINO-THIAZOLYLACETAMIDO-CEPHALOSPORANIC ACID AND THEIR PREPARATION ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed
EP-0034536-B1 OXIME DERIVATIVES OF 3-ALKYLOXY- OR 3-ALKYLTHIOMETHYL 7-AMINO-THIAZOLYLACETAMIDO CEPHALOSPORANIC ACID, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1984-12-27 EP disclosed
EP-0076528-A2 Oxime derivatives of 3-alkyloxy or 3-alkylthiomethyl 7-amino-thiazolylacetamido-cephalosporanic acid and their preparation ROUSSEL-UCLAF (FR) 1983-04-13 EP disclosed
EP-0034536-A2 Oxime derivatives of 3-alkyloxy- or 3-alkylthiomethyl 7-amino-thiazolylacetamido cephalosporanic acid, their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1981-08-26 EP disclosed