SCHEMBL7934718

SCHEMBL7934718

Cc1ccc(N2CCCC2=O)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
HPGD P15428 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
PKM P14618 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.48
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
BRD9 Q9H8M2 1/20 0.47

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
SCHEMBL20794613 0.82 ALDH1A1 (0.60) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL12051770 0.81 PKM (0.60) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL1016659 0.79 ALDH1A1 (0.60) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL28406303 0.79 LMNA (0.54) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL6028329 0.78 HSD17B10 (0.59) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL30104761 0.78 HSD17B10 (0.59) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL7816315 0.78 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL15923334 0.77 ALDH1A1 (0.57) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL7812949 0.77 LMNA (0.54) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL12062757 0.77 KMT2A (0.51) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9

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-6242500-B1 Intercalates and exfoliates formed with long chain (C6+) or aromatic matrix polymer-compatible monomeric, oligomeric or polymeric intercalant compounds, and composite materials containing same AMCOL INTERNATIONAL CORPORATION 2001-06-05 US disclosed
US-6124365-A USEFUL AS PLASTICIZERS AND FOR PROVIDING INCREASED VISCOSITY AND ELASTICITY TO THERMOPLASTIC AND THERMOSETTING POLYMERS, E.G., FOR PLASTICIZING POLYVINYL CHLORIDE; FOR FOOD WRAP HAVING IMPROVED GAS IMPERMEABILITY AMCOL INTERNATIOANL CORPORATION (US) 2000-09-26 US disclosed
EP-0846662-A2 Intercalates and exfoliates, their process of manufacture and composites containing them AMCOL INTERNATIONAL CORPORATION (US) 1998-06-10 EP disclosed