SCHEMBL7227154

SCHEMBL7227154

CCC(C(=O)OCC(C)C)N(C(C)=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.46
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HPGD P15428 2/20 0.34
ALOX12 P18054 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL7570565 0.84 ALDH1A1 (0.47) FSCN1ALDH1A1SMN1; SMN2MAPK1TSHR
SCHEMBL6448597 0.82 SLC6A2 (0.40) ALDH1A1GAASMN1; SMN2LMNAMAPK1
SCHEMBL6136395 0.82 FSCN1 (0.53) FSCN1ALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL7404622 0.79 TSHR (0.39) ALDH1A1GAASMN1; SMN2LMNAMAPK1
SCHEMBL7484093 0.76 ALDH1A1 (0.41) ALDH1A1GAASMN1; SMN2LMNATSHR
SCHEMBL7404818 0.76 ALDH1A1 (0.41) ALDH1A1GAALMNATSHRTDP1
SCHEMBL7401889 0.75 ALDH1A1 (0.40) ALDH1A1GAALMNATSHRL3MBTL1
SCHEMBL7237657 0.72 MEN1 (0.37) ALDH1A1GAASMN1; SMN2LMNAMAPK1
SCHEMBL7237747 0.72 GAA (0.37) ALDH1A1GAASMN1; SMN2MAPK1TSHR
SCHEMBL7869511 0.71 TSHR (0.38) ALDH1A1SMN1; SMN2LMNAMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6541466-B2 Such as 1-(N'-(3,5-difluorophenylacetyl)-L-alaninyl)-aminodibenzosuberane; for treatment of Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-04-01 US disclosed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed