SCHEMBL5898802

SCHEMBL5898802

CC(C)(C)OC(=O)[CH]C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ELANE P08246 4/20 0.31
CTSK P43235 2/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL2071600 0.86 DGAT1 (0.36) DGAT1ALDH1A1
SCHEMBL43764 0.81 HCAR2 (0.45) DGAT1HDAC6HDAC1HDAC2USP2
SCHEMBL43004 0.81 HCAR2 (0.45) DGAT1HDAC6HDAC1HDAC2USP2
SCHEMBL375029 0.81 HCAR2 (0.45) DGAT1HDAC6HDAC1HDAC2USP2
SCHEMBL297178 0.79
SCHEMBL1913508 0.79
SCHEMBL9483930 0.78 DGAT1 (0.34) DGAT1KEAP1NFE2L2HCAR2
SCHEMBL9483924 0.78 DGAT1 (0.34) DGAT1KEAP1NFE2L2HCAR2
Water SCHEMBL9467349 0.77 DGAT1 (0.37) DGAT1HDAC6HDAC1HDAC2USP2
SCHEMBL30658 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144674-B2 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-12-05 US disclosed
US-20030219677-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY (JP) 2003-11-27 US disclosed
US-5925649-A ANTIASTHMATIC LACTAM MACROLIDES NOVARTIS AG (CH) 1999-07-20 US disclosed
EP-0819130-A1 ASCOMYCINS Novartis AG (CH) 1998-01-21 EP disclosed
WO-1996031514-A1 ASCOMYCINS NOVARTIS AG (CH) 1996-10-10 WO disclosed
EP-0433024-B1 Colour recording medium containing leuco dye FUJI PHOTO FILM CO LTD (JP) 1994-09-21 EP disclosed
EP-0433024-A1 Colour recording medium containing leuco dye FUJI PHOTO FILM CO., LTD. (JP) 1991-06-19 EP disclosed
US-4767847-A Nobamycin its analogs and process therefore THE UPJOHN COMPANY (US) 1988-08-30 US disclosed
US-4439602-A Nogalamycin derivatives THE UPJOHN COMPANY (US) 1984-03-27 US disclosed
US-4318790-A Photochemical process for preparing N-demethyl-derivatives of nogalamycin THE UPJOHN COMPANY (US) 1982-03-09 US disclosed