SCHEMBL4592859

SCHEMBL4592859

O=C(O)[N]C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
EPHX1 P07099 7/20 0.38
HIF1A Q16665 1/20 0.38
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
EPHX2 P34913 1/20 0.35
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7472418 0.97
SCHEMBL7476779 0.92
SCHEMBL2137970 0.85
SCHEMBL10443486 0.78 ALDH1A1 (0.40) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL3732008 0.76 ALDH1A1 (0.39) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL8396542 0.76 ALDH1A1 (0.39) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL3038206 0.76 ALDH1A1 (0.39) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL993763 0.76 ALDH1A1 (0.39) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL78649 0.76 EPHX1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A
Bicarbonate SCHEMBL3060153 0.74 ALDH1A1 (0.42) ALDH1A1CES2CES1EPHX1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445081-B2 Polarizing plate protective film, polarizing plate and liquid crystal display device KONICA MINOLTA OPTO, INC. (JP) 2013-05-21 US disclosed
US-20080049324-A1 Polarizing plate protective film, polarizing plate and liquid crystal display device KONICA MINOLTA OPTO, INC. (JP) 2008-02-28 US disclosed
US-20070259134-A1 Cellulose Compound Film, Optical Compensation Sheet, Polarizing Plate, and Liquid Crystal Display Device FUJIFILM CORPORATION (JP) 2007-11-08 US disclosed
EP-0923562-B1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 2002-10-09 EP disclosed
US-6444616-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
US-6130225-A Substituted p-trifluoromethylphenyluracils BAYER AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
EP-0923562-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 1999-06-23 EP disclosed
WO-1998006706-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-19 WO disclosed