SCHEMBL2473656

SCHEMBL2473656

CCCCCCCCCCCCCCCCCC(=O)c1cc(OC)ccc1C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 2/20 0.49
THRA P10827 3/20 0.48
THRB P10828 3/20 0.48
EPHX2 P34913 2/20 0.46
NOS2 P35228 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
STS P08842 3/20 0.44

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
SCHEMBL27521586 0.89 PLK1 (0.51) HTTTHRATHRBEPHX2
SCHEMBL27534617 0.89 PLK1 (0.51) HTTTHRATHRBEPHX2
SCHEMBL27888303 0.87 PLK1 (0.50) HTTTHRATHRBEPHX2
SCHEMBL14261562 0.84 MEN1 (0.55) ALDH1A1CYP3A4HPGDHTT
SCHEMBL3658080 0.84 HTT (0.70) ALDH1A1CYP3A4HPGDMAPK1HTT
SCHEMBL3663202 0.84 HTT (0.70) ALDH1A1CYP3A4HPGDMAPK1HTT
SCHEMBL14261447 0.84 GAA (0.54) HTTTHRATHRBEPHX2HDAC3
SCHEMBL3662822 0.84 HTT (0.70) ALDH1A1CYP3A4HPGDMAPK1HTT
SCHEMBL3658682 0.84 HTT (0.70) ALDH1A1CYP3A4HPGDMAPK1HTT
SCHEMBL3658257 0.84 HTT (0.70) ALDH1A1CYP3A4HPGDMAPK1HTT

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
CN-116096772-A Reactive mixtures for producing polyurethane layers with heat-activatable catalyst systems 贝内克-凯利科股份公司 2023-05-09 CN disclosed
EP-2902331-B1 MULTILAYER CONTAINER TOYO SEIKAN GROUP HOLDINGS LTD (JP) 2018-08-22 EP disclosed
US-20150251390-A1 MULTILAYERED CONTAINER TOYO SEIKAN GROUP HOLDINGS, LTD. (JP) 2015-09-10 US disclosed
EP-2902331-A1 MULTILAYER CONTAINER Toyo Seikan Group Holdings, Ltd. (JP) 2015-08-05 EP disclosed
EP-1816157-B1 OXYGEN-ABSORBING RESIN COMPOSITIONS TOYO SEIKAN KAISHA LTD (JP) 2011-10-12 EP disclosed
EP-2130874-A1 THERMOPLASTIC RESIN PELLET AND METHOD FOR PRODUCTION THEREOF Toyo Seikan Kaisha, Ltd. (JP) 2009-12-09 EP disclosed
CN-1675251-A Aid and method for processing thermoplastic polymer compositions BAERLOCHER GMBH (DE) 2005-09-28 CN disclosed