SCHEMBL7934713

SCHEMBL7934713

Cc1cc(C(=O)O)ccc1N1CCCC1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP2C9 P11712 4/20 0.56
HPGD P15428 3/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 3/20 0.54
MYC P01106 1/20 0.54
ESR1 P03372 1/20 0.54
ALOX15 P16050 1/20 0.54
PTPN7 P35236 1/20 0.54
AKR1C3 P42330 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL4825042 0.97 GAA (0.56) GAAALDH1A1CYP2C9HPGDCYP3A4
SCHEMBL1479266 0.96 CYP2C9 (0.55) GAAALDH1A1CYP2C9HPGDCYP3A4
SCHEMBL1479114 0.85 MYC (0.48) GAAALDH1A1CYP2C9HPGDCYP3A4
SCHEMBL1479619 0.82 RAB9A (0.53) ALDH1A1CYP2C9HPGDCYP3A4HSD17B10
SCHEMBL15596198 0.81 ALDH1A1 (0.54) GAAALDH1A1CYP2C9HPGDCYP3A4
SCHEMBL1482045 0.81 KDM4E (0.55) GAAALDH1A1CYP2C9HPGDCYP3A4
SCHEMBL2760313 0.81 HSD17B10 (0.57) GAAALDH1A1CYP2C9CYP3A4HSD17B10
SCHEMBL1479610 0.80 MYC (0.49) GAAHSD17B10MYCESR1ALOX15
SCHEMBL1479878 0.80 HSD17B10 (0.49) GAAALDH1A1CYP2C9HPGDCYP3A4
SCHEMBL1479517 0.80 HSD17B10 (0.49) GAACYP1A2HSD17B10MYCESR1

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