SCHEMBL9419792

SCHEMBL9419792

CCC(Cc1ccccc1C)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.64
CYP1A2 P05177 1/20 0.50
PPARA Q07869 2/20 0.49
EPHX2 P34913 3/20 0.48
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NR4A2 P43354 1/20 0.44
HTT P42858 1/20 0.44
CTBP2 P56545 1/20 0.44

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
SCHEMBL7384644 0.94 PPARG (0.57) PPARGCYP1A2PPARAEPHX2HPGD
SCHEMBL19502669 0.89 CYP1A2 (0.57) PPARGCYP1A2PPARAEPHX2NR4A2
SCHEMBL27304316 0.86 PPARG (0.50) PPARGCYP1A2PPARAHPGDALDH1A1
SCHEMBL11983359 0.86 PPARG (0.50) PPARGPPARAEPHX2HPGDALDH1A1
SCHEMBL7273958 0.86 PPARG (0.50) PPARGCYP1A2PPARAHPGDALDH1A1
SCHEMBL9419783 0.84 PPARG (0.49) PPARGPPARAEPHX2HPGDALDH1A1
SCHEMBL7299030 0.84 CPA1 (0.61) PPARGCYP1A2PPARAHPGDALDH1A1
SCHEMBL28005647 0.83 PPARG (0.54) PPARGPPARAHPGDALDH1A1CTBP2
O-Xylene SCHEMBL29008699 0.83 CYP1A2 (0.54) PPARGCYP1A2ALDH1A1NR4A2
SCHEMBL13857860 0.82 PPARG (0.50) PPARGCYP1A2PPARAEPHX2NR4A2

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
US-5329033-A Metallocene catalyst, indene containing ligands, alumoxane cocatalyst HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-12 US disclosed
US-5278264-A Catalytic polymerizing in presence of a transition metal metallocene HOECHST AG (DE) 1994-01-11 US disclosed