SCHEMBL8962002

SCHEMBL8962002

CC(=O)C(C)C(=O)Nc1ccccc1CO

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
CETP P11597 1/20 0.45
POLB P06746 2/20 0.44
PTGER4 P35408 1/20 0.44
TSHR P16473 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MDM2 Q00987 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 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
SCHEMBL31045285 0.82 IDO1 (0.56) L3MBTL1ALDH1A1HPGDMDM4TP53
SCHEMBL11427682 0.82 L3MBTL1 (0.56) L3MBTL1ALDH1A1HPGDMDM4TP53
SCHEMBL2635669 0.82 L3MBTL1 (0.54) L3MBTL1ALDH1A1HPGDMDM4TP53
SCHEMBL3150784 0.79 ALDH1A1 (0.59) ALDH1A1HPGDPOLBTSHRNPC1
SCHEMBL30168125 0.79 ALDH1A1 (0.59) ALDH1A1HPGDPOLBTSHRNPC1
SCHEMBL3026540 0.79 L3MBTL1 (0.45) L3MBTL1ALDH1A1MDM4TP53CETP
SCHEMBL8930723 0.78 HPGD (0.61) ALDH1A1HPGDPOLBNPC1RAB9A
SCHEMBL8930764 0.77 KMT2A (0.56) ALDH1A1HPGDPOLBTAS1R3TAS1R1
SCHEMBL2449426 0.77 ALDH1A1 (0.53) L3MBTL1ALDH1A1HPGDPOLBNPC1
SCHEMBL8930775 0.74 POLB (0.58) ALDH1A1POLBTSHRNPC1RAB9A

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