SCHEMBL626213

SCHEMBL626213

COc1ccc2c(c1)C(=O)C(NC(=O)O)C2

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.58
METAP1 P53582 2/20 0.50
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
CYP19A1 P11511 1/20 0.43
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK14 Q16539 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 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
SCHEMBL8765833 0.89 ACHE (0.58) ACHEMETAP1MTNR1AMTNR1BLMNA
Ethylene SCHEMBL8765917 0.86 ACHE (0.56) ACHEMETAP1MTNR1AMTNR1BLMNA
SCHEMBL605776 0.86 ACHE (0.52) ACHEMETAP1MTNR1AMTNR1BLMNA
SCHEMBL8337714 0.82 ACHE (0.65) ACHEMETAP1CYP19A1MAPK14HTR2A
SCHEMBL603907 0.79 MAOB (0.48) ACHEMTNR1AMTNR1BLMNACYP19A1
SCHEMBL603908 0.79 MAOB (0.48) ACHEMTNR1AMTNR1BLMNACYP19A1
SCHEMBL6881129 0.78 ACHE (0.63) ACHEMETAP1GAACYP19A1HTR2A
SCHEMBL10768744 0.78 ACHE (0.58) ACHEMETAP1MTNR1AMTNR1BCYP19A1
SCHEMBL31562781 0.77 ACHE (0.61) ACHEMETAP1GAA
SCHEMBL385595 0.77 ACHE (0.61) ACHEMETAP1GAA

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-2603481-A2 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2013-06-19 EP disclosed
WO-2012020131-A2 AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 WO disclosed