SCHEMBL3971183

SCHEMBL3971183

CCc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
PLK1 P53350 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
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
SCHEMBL10948069 0.94 ALDH1A1 (0.52) ALDH1A1PLK1SMN1; SMN2HPGDTDP1
SCHEMBL10941607 0.91 ALDH1A1 (0.48) ALDH1A1PLK1SMN1; SMN2HPGDTDP1
SCHEMBL4457411 0.86 ALDH1A1 (0.55) ALDH1A1PLK1SMN1; SMN2HPGDTDP1
SCHEMBL3687860 0.85 PLK1 (0.41) ALDH1A1PLK1
SCHEMBL1628100 0.85 ALDH1A1 (0.59) ALDH1A1PLK1SMN1; SMN2HPGDTDP1
SCHEMBL153898 0.85 KMT2A (0.56) ALDH1A1PLK1RXRARXRBLMNA
SCHEMBL11298330 0.84 CA2 (0.46) ALDH1A1SMN1; SMN2LMNA
SCHEMBL1060928 0.84 PLK1 (0.55) ALDH1A1PLK1TDP1NPC1RAB9A
SCHEMBL480503 0.83 EPHX2 (0.49) ALDH1A1SMN1; SMN2HPGD
SCHEMBL6687329 0.83 ALDH1A1 (0.57) ALDH1A1PLK1SMN1; SMN2HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8899745-B2 Ophthalmic lenses modified with functional groups and methods of making thereof NOVARTIS AG (CH) 2014-12-02 US disclosed
EP-1760102-B1 CATIONICALLY PHOTOPOLYMERIZABLE COMPOSITION AND OPTOELECTRONIC COMPONENT USING SAME THREE BOND CO LTD (JP) 2013-04-24 EP disclosed
CN-100523007-C Novel bifunctional photoinitiators CIBA SC HOLDING AG (CH) 2009-08-05 CN disclosed
EP-2065444-A1 PHOTOPOLYMERIZABLE COMPOSITION THREE BOND CO., LTD. (JP) 2009-06-03 EP disclosed
WO-2009050116-A2 ADHESION PROMOTING PHOTOINITIATORS FOR UV CURED COATINGS OVER METAL SURFACES BASF SE (DE) 2009-04-23 WO disclosed
EP-1760102-A1 CATIONICALLY PHOTOPOLYMERIZABLE COMPOSITION AND OPTOELECTRONIC COMPONENT USING SAME THREE BOND CO., LTD. (JP) 2007-03-07 EP disclosed
CN-1668648-A Novel bifunctional photoinitiators CIBA SC HOLDING AG (CH) 2005-09-14 CN disclosed
WO-2004046080-A1 METHOD OF PREPARATION OF DERIVATIVES OF SUBSTITUTED 2-ARYL AIKANOIC ACIDS ZENTIVA, A.S. (SK) 2004-06-03 WO disclosed
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
US-4721734-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-01-26 US disclosed
US-4477681-A PHOTOPOLYMERIZATION AND HARDENING OF PRINTING DYES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-16 US disclosed
US-4347111-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS, HARDENING OF PRINTING DYES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-08-31 US disclosed