SCHEMBL7600985

SCHEMBL7600985

CCCCCCCC1C(=O)OCCOCCOC1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
EPHX1 P07099 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL9241076 0.94 CYP1A2 (0.50) CYP1A2EPHX1ALDH1A1
SCHEMBL29672413 0.94 CYP1A2 (0.50) CYP1A2EPHX1ALDH1A1
SCHEMBL29118987 0.87 CYP1A2 (0.47) CYP1A2EPHX1ALDH1A1
SCHEMBL17593102 0.85 CYP1A2 (0.49) CYP1A2EPHX1ALDH1A1
SCHEMBL7597535 0.84 CYP1A2 (0.35) CYP1A2
SCHEMBL17593169 0.82 CYP1A2 (0.50) CYP1A2EPHX1ALDH1A1
SCHEMBL11868157 0.79 TP53 (0.46) CYP1A2MEN1HTTKMT2AALDH1A1
SCHEMBL10998132 0.78 TP53 (0.44) CYP1A2EPHX1MEN1HTTKMT2A
SCHEMBL29056457 0.78 TP53 (0.44) CYP1A2EPHX1MEN1HTTKMT2A
SCHEMBL31134790 0.78 TP53 (0.44) CYP1A2EPHX1MEN1HTTKMT2A

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-0802067-B1 DIRECT DRAWING TYPE WATERLESS PLANOGRAPHIC ORIGINAL FORM PLATE TORAY INDUSTRIES (JP) 2002-04-24 EP disclosed
US-6096476-A DIRECTLY IMAGEABLE RAW PLATE HAVING A HEAT INSULATING LAYER, HEAT SENSITIVE LAYER COMPRISING A LIGHT TO HEAT CONVERTING MATERIAL AND INK REPLELLENT LAYER IN THIS ORDER ON SUBSTRATE; PLATE HAS SPECIFIED ELASTIC MODULUS AND TENSILE PROPERTIES TORAY INDUSTRIES, INC. (JP) 2000-08-01 US disclosed
EP-0678785-B1 DRY LITHOGRAPHIC PLATE TORAY INDUSTRIES (JP) 2000-05-10 EP disclosed
US-5866294-A HIGH DURABLE PRINTING TORAY INDUSTRIES, INC. (JP) 1999-02-02 US disclosed
EP-0802067-A1 DIRECT DRAWING TYPE WATERLESS PLANOGRAPHIC ORIGINAL FORM PLATE TORAY INDUSTRIES, INC. (JP) 1997-10-22 EP disclosed
EP-0678785-A1 DRY LITHOGRAPHIC FORME TORAY INDUSTRIES, INC. (JP) 1995-10-25 EP disclosed