SCHEMBL8529935

SCHEMBL8529935

O=C(O)c1ccc(C(=O)O)c2[c]cc[c]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 1/20 0.43
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
TSHR P16473 3/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CASP1 P29466 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HMGB1 P09429 1/20 0.37
HPGD P15428 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
NAPRT Q6XQN6 1/20 0.37

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
SCHEMBL8529933 0.90 ALDH1A1 (0.43) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL3903646 0.81 CYP1A2 (0.54) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL5337072 0.74 CYP1A2 (0.50) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL2206060 0.73 NR4A1 (0.48) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL22122 0.67 CYP1A2 (1.00) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL29417502 0.67 CYP1A2 (1.00) CYP1A2ALDH1A1ALOX15SELLSELP
Water SCHEMBL7231103 0.65 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL9158798 0.65 TSHR (0.35) CYP1A2ALDH1A1ALOX15TSHRNAPRT
Water SCHEMBL714855 0.65 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL268488 0.65 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15SELLSELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474227-B2 Functionalized peroxides for polymerization reactions ATOCHEM NORTH AMERICA ELF (US) 1998-06-10 EP disclosed
US-5723562-A BLOCK, GRAFT, AND CONDENSATION POLYMERIZATION; ESTERIFICATION, AMIDATION, ETHERIFICATION, CARBAMYLATION ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-03-03 US disclosed
US-5710210-A Process for polymer reactions with functionalized peroxides ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-01-20 US disclosed
US-5710213-A POLYMERIZING AN UNSATURATED MONOMER OR GRAFTING AN UNSATURATED POLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-01-20 US disclosed
US-5612439-A REACTING WITH MONOMERS TO FORM POLYCARBONATES, POLYESTERS, POLYAMIDES, POLYUREAS, POLYIMIDES, POLYETHERS, AND POLYURETHANES; CURING, CROSSLINKING ELF ATOCHEM NORTH AMERICA, INC. (US) 1997-03-18 US disclosed
US-5543553-A CROSSLINKING, GRAFTING AND CURING AGENTS FOR CONDENSATIONPOLYMERS ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-08-06 US disclosed
US-5536790-A MOLECULAR WEIGHT CONTROL FOR POLYMERS USING PEROXY COMPOUNDS ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-07-16 US disclosed
US-5534596-A CATALYSTS FOR ADDITION POLYMERIZATION, GRAFT POLYMERIZATION, CURING OF UNSATURATED POLYESTERS ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-07-09 US disclosed
US-5466855-A Functionalized peroxides for polymerization reactions ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-11-14 US disclosed
US-5319130-A Monomers for condensation polymers; polyepoxides; addition polymerization initiators; compatibilizers of blends ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-06-07 US disclosed
EP-0474227-A1 Functionalized peroxides for polymerization reactions ELF ATOCHEM NORTH AMERICA, INC. (US) 1992-03-11 EP disclosed