SCHEMBL8930726

SCHEMBL8930726

COc1ccc(NC(=O)C(C)C(C)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 3/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 3/20 0.57
KLK7 P49862 2/20 0.55
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
MTNR1B P49286 1/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL2608943 0.84 HTT (0.70) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL147291 0.82 HTT (0.73) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL29279417 0.82 HTT (0.68) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL31185236 0.82 HTT (0.68) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL8930617 0.82 LMNA (0.66) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL10538373 0.81 ALDH1A1 (0.65) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL18638757 0.81 HTT (0.71) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL16981649 0.81 HTT (0.66) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL4904895 0.81 HTT (0.71) HTTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL8752455 0.80 MAPT (0.65) HTTRAB9ANPC1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188203-B2 Intraocular lens formed from a polymer of an unsaturated aryl monoazo dye containing a 2-pyrazolin-5-one, dimedone (5,5-dimethyl-1,3-cyclohexanedione), acetoacetamide, malonamide, barbituric acid or 1,3-propanedione residue; yellow light absorbers; block ultraviolet and/or violet-blue light transmission Abbott Medical Optics Inc. (US) 2012-05-29 US disclosed
US-8188203-B2 Intraocular lens formed from a polymer of an unsaturated aryl monoazo dye containing a 2-pyrazolin-5-one, dimedone (5,5-dimethyl-1,3-cyclohexanedione), acetoacetamide, malonamide, barbituric acid or 1,3-propanedione residue; yellow light absorbers; block ultraviolet and/or violet-blue light transmission Abbott Medical Optics Inc. (US) 2012-05-29 US disclosed
US-20080182957-A1 Copolymerizable azo compounds and articles containing them Johnson & Johnson Surgical Vision, Inc. 2008-07-31 US disclosed
US-20080182957-A1 Copolymerizable azo compounds and articles containing them Johnson & Johnson Surgical Vision, Inc. 2008-07-31 US disclosed
US-7326423-B2 Copolymerizable azo compounds and articles containing them ADVANCED MEDICAL OPTICS, INC. (US) 2008-02-05 US disclosed
US-7326423-B2 Copolymerizable azo compounds and articles containing them ADVANCED MEDICAL OPTICS, INC. (US) 2008-02-05 US disclosed