SCHEMBL7523092

SCHEMBL7523092

Cc1cc(CCC(=O)OCCOOC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.[CH2]C[O]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
ALOX5 P09917 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
APP P05067 2/20 0.35
HTT P42858 2/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
AGTR1 P30556 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3347430 0.95 GAA (0.45) GAAKMT2AMEN1ALOX5CYP1A2
Ethylene SCHEMBL4043664 0.88 GAA (0.49) GAAKMT2AMEN1ALOX5CYP1A2
SCHEMBL551089 0.88 GAA (0.51) GAAKMT2AMEN1ALOX5CYP1A2
SCHEMBL29586862 0.88 GAA (0.51) GAAKMT2AMEN1ALOX5CYP1A2
SCHEMBL29395480 0.84 GAA (0.48) GAAKMT2AMEN1ALOX5CYP1A2
SCHEMBL97797 0.84 GAA (0.48) GAAKMT2AMEN1ALOX5CYP1A2
SCHEMBL29351339 0.84 GAA (0.48) GAAKMT2AMEN1ALOX5CYP1A2
SCHEMBL6258772 0.84 GAA (0.48) GAAKMT2AMEN1ALOX5CYP1A2
SCHEMBL29363126 0.84 GAA (0.48) GAAKMT2AMEN1ALOX5CYP1A2
SCHEMBL23263834 0.83 GAA (0.50) GAAKMT2AMEN1ALOX5CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407982-A Adding onium iodide salt of nitrogen, phosphorus, or arsenic SHELL OIL COMPANY (US) 1995-04-18 US claimed
US-20230311394-A1 PRODUCTION METHOD FOR HEAT-RESISTANT RESIN COMPOSITION DENKA COMPANY LIMITED (JP) 2023-10-05 US disclosed
US-20230109024-A1 PHOTOCHROMIC CURABLE COMPOSITION AND PHOTOCHROMIC OPTICAL ARTICLE TOKUYAMA CORPORATION (JP) 2023-04-06 US disclosed
EP-4112663-A1 PHOTOCHROMIC CURABLE COMPOSITION AND PHOTOCHROMIC OPTICAL ARTICLE Tokuyama Corporation (JP) 2023-01-04 EP disclosed
EP-3385290-A1 TRANSPARENT HIGHLY HEAT-RESISTANT STYRENE COPOLYMER Denka Company Limited (JP) 2018-10-10 EP disclosed
EP-2653500-A1 FLAME-RETARDANT POLYCARBONATE RESIN COMPOSITION, FLAME RETARDANT FOR POLYCARBONATE RESIN, AND METHOD FOR PRODUCING SAME. Mitsubishi Engineering-Plastics Corporation (JP) 2013-10-23 EP disclosed
WO-2013076031-A1 SUPERABSORBENT POLYMER WITH PYROGENIUM ALUMINUM OXIDE BASF SE (DE) 2013-05-30 WO disclosed
EP-1170056-A1 Hydrogen absorbing composition, manufacturing method and use as optical fiber cable filling SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES-SEPPIC (FR) 2002-01-09 EP disclosed