SCHEMBL8614640

SCHEMBL8614640

CC(C(=O)CCO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
TRPA1 O75762 3/20 0.43
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
APAF1 O14727 1/20 0.41
CYP2D6 P10635 1/20 0.40
GAA P10253 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
SCHEMBL3633716 0.84 CYP1A2 (0.47) PTGS2MAPTCYP2D6
SCHEMBL10728103 0.83 PTGS2 (0.48) PTGS2TRPA1FAAHGPR88APAF1
SCHEMBL11684343 0.82 ALDH1A1 (0.47) PTGS2MAPTFAAHAPAF1
SCHEMBL508956 0.81 PTGS2 (0.50) PTGS2MAPTFAAHAPAF1CYP2D6
SCHEMBL9074425 0.81 ALDH1A1 (0.55)
SCHEMBL27666438 0.81 NPSR1 (0.50) PTGS2GPR88
SCHEMBL3410010 0.79 ALDH1A1 (0.50) PTGS2TRPA1FAAHCYP2D6
SCHEMBL13389325 0.79 ALDH1A1 (0.50) PTGS2TRPA1FAAHCYP2D6
Ethylene Glycol SCHEMBL29068309 0.79 PTGS2 (0.64) PTGS2MAPTAPAF1CYP2D6
SCHEMBL7641669 0.78 ASAH1 (0.56)

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
EP-2192932-B1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS ALCON INC (CH) 2011-05-04 EP disclosed
US-7888403-B2 soft foldable intraocular lenses with no glistenings or vacuoles when stored in water; monofunctional phenyl or alkylphenyl acrylate or acrylamide and difunctional acrylate or acrylamide monomers; a di- or tri-block acrylic macromer ALCON, INC. (CH) 2011-02-15 US disclosed
WO-2009046232-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS ALCON, INC. (CH) 2009-04-09 WO disclosed
US-20090093592-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS ALCON, INC. (CH) 2009-04-09 US disclosed
EP-0863895-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-16 EP disclosed
WO-1997018203-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 WO disclosed