SCHEMBL2556980

SCHEMBL2556980

COc1cccc(N(C=O)C(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
MTNR1A P48039 11/20 0.44
MTNR1B P49286 11/20 0.44
HSD17B2 P37059 4/20 0.42
HSD17B1 P14061 3/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL28012007 0.81 MTNR1A (0.45) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1779795 0.80 MTNR1A (0.44) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL4288276 0.80 PARP1 (0.44) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL27877846 0.80 MTNR1A (0.44) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1007582 0.80 MTNR1A (0.44) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL4318019 0.76 MTNR1A (0.39) ALOX15MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL4318013 0.76 MTNR1A (0.39) ALOX15MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL4318553 0.74 MTNR1A (0.38) ALOX15MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL4318558 0.74 MTNR1A (0.38) ALOX15MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL10477183 0.73 ALOX15 (0.52) ALOX15MTNR1AMTNR1BHSD17B2HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
EP-1226119-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-03-16 EP disclosed
EP-1226119-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2003-04-09 EP disclosed
US-6479512-B1 TO TREAT TYROSINE KINASE-DEPENDENT DISEASES AND CONDITIONS, SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, ETC. MERCK & CO., INC. 2002-11-12 US disclosed
EP-1226119-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2002-07-31 EP disclosed
WO-2001028993-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2001-04-26 WO disclosed