SCHEMBL5738261

SCHEMBL5738261

[CH2]C(OC(=O)C(C)(C)C)C(C)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
PRKCA P17252 1/20 0.35
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6879893 0.83 TSHR (0.46) TSHRPRKCACHRM2CHRM4CHRM1
SCHEMBL7606470 0.74 TSHR (0.46) TSHRPRKCACHRM2CHRM4CHRM1
SCHEMBL5986991 0.74 TSHR (0.46) TSHRPRKCACHRM2CHRM4CHRM1
SCHEMBL5986707 0.74 TSHR (0.46) TSHRPRKCACHRM2CHRM4CHRM1
SCHEMBL16077780 0.73 TSHR (0.41) TSHRPRKCACHRM2CHRM4CHRM1
SCHEMBL1439919 0.73 PRKCA (0.42) TSHRPRKCA
SCHEMBL4735899 0.73 PRKCA (0.42) TSHRPRKCA
SCHEMBL5988357 0.71 TSHR (0.42) TSHRPRKCACHRM2CHRM4CHRM1
SCHEMBL7606479 0.71 TSHR (0.42) TSHRPRKCACHRM2CHRM4CHRM1
SCHEMBL5987688 0.71 TSHR (0.42) TSHRPRKCACHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560488-A4 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORP (US) 2006-08-02 EP disclosed
EP-1560488-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-10 EP disclosed
WO-2004041210-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-21 WO disclosed
EP-0966472-A1 CEPHALOSPORIN DERIVATIVES Bristol-Myers Squibb Company (US) 1999-12-29 EP disclosed
EP-0966472-A4 1999-12-29 EP disclosed
WO-1998023621-A1 CEPHALOSPORIN DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-04 WO disclosed