SCHEMBL8079517

SCHEMBL8079517

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.32
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

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
SCHEMBL8086688 0.92 ACHE (0.35)
SCHEMBL8087962 0.86
SCHEMBL8087999 0.77
Hydrochloric Acid SCHEMBL8361332 0.72
Hydrochloric Acid SCHEMBL8361931 0.72
Hydrochloric Acid SCHEMBL8355828 0.72
SCHEMBL6283235 0.70 SCD (0.33) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL8079504 0.70 SCD (0.33) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL8079529 0.69 ALDH1A1 (0.38) HPGD
SCHEMBL924416 0.67 NPC1 (0.33) NPC1HPGDMAPK1HTTRAB9A

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