SCHEMBL4330722

SCHEMBL4330722

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.43
MTNR1B P49286 9/20 0.43
HSD17B2 P37059 2/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B1 P14061 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL4318553 0.85 MTNR1A (0.38) MTNR1AMTNR1BHSD17B2ALOX15HSD17B1
SCHEMBL4318558 0.85 MTNR1A (0.38) MTNR1AMTNR1BHSD17B2ALOX15HSD17B1
SCHEMBL4318019 0.72 MTNR1A (0.39) MTNR1AMTNR1BHSD17B2ALOX15ALDH1A1
SCHEMBL4318013 0.72 MTNR1A (0.39) MTNR1AMTNR1BHSD17B2ALOX15ALDH1A1
SCHEMBL28188568 0.71 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL8812902 0.71 MTNR1A (0.51) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL8428661 0.69 MTNR1A (0.46) MTNR1AMTNR1BHSD17B2ALOX15ALDH1A1
SCHEMBL20264517 0.69 HSD17B2 (0.61) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL11437844 0.68 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1
SCHEMBL11433747 0.68 KMT2A (0.46) ALDH1A1LMNA

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-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed