SCHEMBL6865304

SCHEMBL6865304

CCOc1ccc(C[C@@H](N)C(C)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.54
PARP10 Q53GL7 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
PPARA Q07869 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NQO1 P15559 1/20 0.48

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
SCHEMBL14355744 1.00 ACACB (0.54) ACACBPARP10ITGB3ITGA2BPPARA
SCHEMBL158881 0.88 ITGB3 (0.64) ACACBPARP10ITGB3ITGA2BPPARA
SCHEMBL13780264 0.88 PARP10 (0.54) ACACBPARP10ITGB3ITGA2BPPARA
SCHEMBL2036599 0.88 ITGB3 (0.64) ACACBPARP10ITGB3ITGA2BPPARA
SCHEMBL158880 0.88 ITGB3 (0.64) ACACBPARP10ITGB3ITGA2BPPARA
SCHEMBL13663555 0.88 PARP10 (0.54) ACACBPARP10ITGB3ITGA2BPPARA
Hydrochloric Acid SCHEMBL6775332 0.87 ITGB3 (0.62) ACACBITGB3ITGA2BPPARA
SCHEMBL15593940 0.87 ACACB (0.51) ACACBPARP10ITGB3ITGA2BMEN1
Hydrochloric Acid SCHEMBL14485333 0.87 ITGB3 (0.62) ACACBITGB3ITGA2BPPARA
Hydrochloric Acid SCHEMBL14485335 0.87 ITGB3 (0.62) ACACBITGB3ITGA2BPPARA

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
WO-2011017209-A1 USE OF MELANOCORTINS TO TREAT DYSLIPIDEMIA IPSEN PHARMA S.A.S. (FR) 2011-02-10 WO disclosed
WO-2009061411-A2 USE MELANOCORTINS TO TREAT INSULIN SENSITIVITY IPSEN PHARMA S.A.S. (FR) 2009-05-14 WO disclosed
US-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 US disclosed
WO-2007008684-A2 LIGANDS OF MELANOCORTIN RECEPTORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2007-01-18 WO disclosed
US-7157463-B2 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed