SCHEMBL8930775

SCHEMBL8930775

COc1ccccc1NC(=O)C(C)C(C)=O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TSHR P16473 2/20 0.58
MEN1 O00255 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
LPAR1 Q92633 1/20 0.57
MAPT P10636 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ANPEP P15144 1/20 0.53
CASP6 P55212 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
SCHEMBL13596172 0.85 POLB (0.62) POLBKMT2AALDH1A1TSHRMEN1
SCHEMBL16160052 0.84 POLB (0.56) POLBKMT2AALDH1A1TSHRMEN1
SCHEMBL6348301 0.83 POLB (0.61) POLBKMT2AALDH1A1TSHRMEN1
SCHEMBL17319994 0.83 ALDH1A1 (0.59) POLBKMT2AALDH1A1TSHRMEN1
SCHEMBL11204656 0.83 ALDH1A1 (0.56) POLBKMT2AALDH1A1TSHRMEN1
SCHEMBL536527 0.82 POLB (0.59) POLBKMT2AALDH1A1TSHRMEN1
SCHEMBL18638271 0.82 POLB (0.59) POLBKMT2AALDH1A1TSHRMEN1
SCHEMBL4554983 0.81 POLB (0.77) POLBKMT2AALDH1A1MEN1LPAR1
SCHEMBL31040567 0.81 POLB (0.77) POLBKMT2AALDH1A1MEN1LPAR1
SCHEMBL13255726 0.81 POLB (0.62) POLBKMT2AALDH1A1TSHRMEN1

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 3 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-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