SCHEMBL9280351

SCHEMBL9280351

O=C(O)COc1ccc(C2C(=O)Oc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
FFAR1 O14842 1/20 0.46
ALDH1A1 P00352 3/20 0.44
PTPN7 P35236 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PTPN12 Q05209 1/20 0.44
GAA P10253 2/20 0.44
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL9573819 0.85 GAA (0.45) ALOX15FFAR1ALDH1A1GAAPPARG
SCHEMBL5605404 0.83 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL30561156 0.83 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL9319431 0.83 GAA (0.62) ALOX15FFAR1ALDH1A1KMT2AMEN1
SCHEMBL29612322 0.82 MAPT (0.49) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL9280347 0.81 PTGDR2 (0.51) ALOX15ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL8101288 0.78 GAA (0.49) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL3261989 0.78 LMNA (0.46) KMT2AMEN1GAALMNA
SCHEMBL501810 0.78 GAA (0.65) ALDH1A1MAPTKMT2AMEN1GAA
Phosphine SCHEMBL23295992 0.76 GAA (0.63) ALDH1A1MAPTKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5422415-A Benzofuran derivative, phenolic antioxidant, secondary amine antioxidant; foams CIBA-GEIGY CORPORATION (US) 1995-06-06 US disclosed
US-5356966-A Stabilizing organic material against oxidative, thermal or light iinduced degradation CIBA-GEIGY CORPORATION (US) 1994-10-18 US disclosed
US-5356966-A Stabilizing organic material against oxidative, thermal or light iinduced degradation CIBA-GEIGY CORPORATION (US) 1994-10-18 US disclosed
US-5308899-A Benzofuranone derivative, phenolic and secondary amine antioxidants CIBA-GEIGY CORPORATION (US) 1994-05-03 US disclosed
EP-0543778-A1 Compositions protected against oxydation and scorching, respectively polyetherpolyol and polyurethane CIBA-GEIGY AG (CH) 1993-05-26 EP disclosed