SCHEMBL27560100

SCHEMBL27560100

CC(C)(C)c1cc(NC(=O)O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX5 P09917 4/20 0.46
PTGS2 P35354 4/20 0.46
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
NR5A2 O00482 1/20 0.44
NR5A1 Q13285 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
CA2 P00918 2/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSP90AA1 P07900 1/20 0.40
CA1 P00915 1/20 0.39

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
SCHEMBL29481500 0.83 HPGD (0.38) ALDH1A1GAATDP1ALOX5PTGS2
SCHEMBL28719488 0.83 HPGD (0.38) ALDH1A1GAATDP1ALOX5PTGS2
SCHEMBL28004482 0.82 NR5A2 (0.48) ALDH1A1GAATDP1ALOX5PTGS2
SCHEMBL18646181 0.80 NR5A2 (0.49) ALDH1A1GAATDP1NR5A2NR5A1
SCHEMBL23793643 0.80 CA2 (0.46) ALDH1A1GAATDP1ALOX5PTGS2
SCHEMBL2343577 0.78 TSHR (0.41) ALDH1A1GAATDP1ALOX5PTGS2
SCHEMBL394716 0.78 CA2 (0.45) ALDH1A1GAATDP1ALOX5PTGS2
SCHEMBL18646078 0.77 NR5A2 (0.53) ALDH1A1GAANR5A2NR5A1SMN1; SMN2
SCHEMBL10762782 0.77 CYP2C9 (0.50) ALDH1A1ALOX5PTGS2CYP2C9HTT
SCHEMBL11686726 0.77 CA2 (0.43) ALDH1A1GAATDP1ALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103502315-B Composition and polymer 旭化成株式会社 2016-08-17 CN disclosed
CN-105754099-A Composition and polymer 旭化成株式会社 2016-07-13 CN disclosed
CN-104640961-A Polymers for lubricant compositions and methods of forming the same BASF SE 2015-05-20 CN disclosed
CN-103980618-A Mono-and multi-layer blown films BASF SE 2014-08-13 CN disclosed
CN-103969863-A Liquid crystal display device SAMSUNG DISPLAY CO LTD 2014-08-06 CN disclosed
CN-101649203-B Stabilization of organic materials CIBA SC HOLDING AG 2013-12-18 CN disclosed
CN-101821039-B Method for producing separable and redispersible transition metal nanoparticles and use thereof as IR absorbers BASF AG 2013-07-17 CN disclosed
CN-1215075-C Process for prodn. of phosphor organiccompounds CLARIANT FINANCE BVI LTD (VG) 2005-08-17 CN disclosed
CN-1274358-A Process for preparing phosphorus organic compounds CLARIANT FINANCE BVI LTD (VG) 2000-11-22 CN disclosed