SCHEMBL8079504

SCHEMBL8079504

CCCCC1=C(C)C=C(C)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
TYR P14679 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
SCHEMBL6283235 1.00 SCD (0.33) SCDNPC1HPGDMAPK1HTT
SCHEMBL8090896 0.92 SCD (0.43) SCDHPGDMAPK1KDM4E
SCHEMBL8086694 0.86
Hydrochloric Acid SCHEMBL27794735 0.78 SCD (0.31) SCD
SCHEMBL7051863 0.77
SCHEMBL10447160 0.71
SCHEMBL8086746 0.70 ORAI1 (0.36) HPGD
SCHEMBL320624 0.70 SCD (0.54) SCDNPC1HPGDMAPK1HTT
SCHEMBL8079517 0.70 NOS2 (0.32) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL11179567 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046346-A Production of alkali metal cyclopentadienylide and production of dihalobis (η-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-04 US disclosed
EP-0926150-A2 Production of alkali metal cyclopentadienylide and production of dihalobis(eta-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide Honshu Chemical Industry Co. Ltd. (JP) 1999-06-30 EP disclosed