SCHEMBL1649294

SCHEMBL1649294

CCCC[C@@H]([C]=O)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 6/20 0.44
CA2 P00918 5/20 0.37
CA1 P00915 4/20 0.37
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
MAPK1 P28482 1/20 0.36
PLA2G2A P14555 1/20 0.36
ALDH1A1 P00352 1/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL4323327 1.00 PLA2G2C (0.44) PLA2G2CCA2CA1SIRT6SIRT1
SCHEMBL109296 0.92 PLA2G2C (0.45) PLA2G2CCA2SIRT6SIRT1MAPK1
SCHEMBL56437 0.88 HDAC7 (0.35) PLA2G2CSIRT6SIRT1PLA2G2AALDH1A1
SCHEMBL10935678 0.82 TRPV1 (0.33)
SCHEMBL28158999 0.82 SIRT6 (0.39) CA2CA1SIRT6SIRT1DPP8
SCHEMBL1661759 0.81 SIRT6 (0.44) CA2CA1SIRT6SIRT1DPP8
SCHEMBL1328597 0.81 SIRT6 (0.44) CA2CA1SIRT6SIRT1DPP8
SCHEMBL7285194 0.80 TSHR (0.39)
SCHEMBL15539031 0.80 CTSS (0.49) SIRT6SIRT1PLA2G2AALDH1A1
SCHEMBL4039881 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536717-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-12-26 EP disclosed
WO-2011149841-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 WO disclosed
WO-2011103134-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 WO disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
EP-2134698-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica, N.V. (BE) 2009-12-23 EP disclosed
EP-2132188-A2 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLEDINEDIONE AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica N.V. (BE) 2009-12-16 EP disclosed
EP-2129668-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica N.V. (BE) 2009-12-09 EP disclosed
WO-2008109727-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed
WO-2008109731-A2 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLEDINEDIONE AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JASSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed
WO-2008109737-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed