SCHEMBL8856019

SCHEMBL8856019

CC1(C)COC(CCCC2=NC(C)(C)CO2)=N1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
HPGD P15428 1/20 0.31
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9066008 0.93 KDM4E (0.37) KDM4EALDH1A1HTTATMHRH3
SCHEMBL9065677 0.93 KDM4E (0.37) KDM4EALDH1A1HTTATMHRH3
SCHEMBL3132700 0.90 KDM4E (0.41) KDM4EALDH1A1HTTATMHRH3
SCHEMBL5796273 0.89 KDM4E (0.35) KDM4EALDH1A1HTTATM
SCHEMBL11376925 0.87 KDM4E (0.34) KDM4E
SCHEMBL9787963 0.87 KDM4E (0.34) KDM4E
SCHEMBL7466103 0.87 KDM4E (0.34) KDM4EALDH1A1HTTATMHRH3
SCHEMBL9787882 0.86 LPL (0.33) KDM4EALDH1A1
SCHEMBL10616726 0.86 LPL (0.33) KDM4EALDH1A1
SCHEMBL9788005 0.86 LPL (0.33) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260339-B1 OXAZOLINE/POLYOL/POLYISOCYANATE POLYMERS AND PROCESS Ashland Oil, Inc. (US) 1991-03-13 EP claimed
US-4640969-A IMPROVED IMPACT STRENGHT ASHLAND OIL, INC. (US) 1987-02-03 US claimed
US-9541827-B2 Photosensitive composition, cured film and production process thereof, and electronic part JSR CORPORATION (JP) 2017-01-10 US disclosed
US-20140234777-A1 PHOTOSENSITIVE COMPOSITION, CURED FILM AND PRODUCTION PROCESS THEREOF, AND ELECTRONIC PART JSR CORPORATION (JP) 2014-08-21 US disclosed
US-5658984-A CONTAINING BLOCK COPOLYAMIDE, AROMATIC POLYESTER, MULTILAYER POLYMER HAVING ACRYLATE CORE AND VINYL AROMATIC SHELL; HEAT RESISTANCE, IMPACT STRENGTH MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-08-19 US disclosed
US-5028640-A Carbon Fibers, Polyoxazoline Compound MITSUBISHI GAS CHEMICAL CO. INC. (JP) 1991-07-02 US disclosed
EP-0260339-B1 OXAZOLINE/POLYOL/POLYISOCYANATE POLYMERS AND PROCESS Ashland Oil, Inc. (US) 1991-03-13 EP disclosed