SCHEMBL8645927

SCHEMBL8645927

CC1=C(C)C(C)C(C#N)=C1C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL14580923 0.77
SCHEMBL12433065 0.75 LMNA (0.34) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL525718 0.69
SCHEMBL449043 0.69
SCHEMBL29254620 0.67
SCHEMBL3887277 0.66
Hydrochloric Acid SCHEMBL9233653 0.66
SCHEMBL21356236 0.66
Hydrochloric Acid SCHEMBL9233649 0.66
SCHEMBL8098100 0.66

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-5789638-A Hydrogenation of unsaturated polymers using monocyclopentadienyl group IV metal catalysts THE DOW CHEMICAL COMPANY (US) 1998-08-04 US disclosed
WO-1996018655-A1 HYDROGENATION OF UNSATURATED POLYMERS USING MONOCYCLOPENTADIENYL GROUP IV METAL CATALYSTS THE DOW CHEMICAL COMPANY (US) 1996-06-20 WO disclosed