SCHEMBL4229279

SCHEMBL4229279

CCCCC(C#CC(=O)O)CC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.45
MAPK1 P28482 1/20 0.45
CA1 P00915 4/20 0.39
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
HMGCR P04035 1/20 0.34

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
SCHEMBL8580273 0.94 GPR84 (0.42) CA2MAPK1CA1GPR84FFAR1
SCHEMBL10901253 0.88 CHRM1 (0.39) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL27386281 0.83 CA2 (0.43) CA2MAPK1CA1GPR84FFAR1
SCHEMBL1974419 0.83 FFAR3 (0.32) CA2MAPK1
SCHEMBL273813 0.82 CA2 (0.42) CA2MAPK1CA1GPR84FFAR1
SCHEMBL29447187 0.79 HMGCR (0.40) CA2CA1ALDH1A1MAPTHMGCR
SCHEMBL29211129 0.78 GPR84 (0.50) CA1GPR84FFAR1MAPTLCK
SCHEMBL29211106 0.77 CHRM1 (0.41) CA2MAPK1GPR84FFAR1MAPT
SCHEMBL8971531 0.76 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8971535 0.76 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144638-B2 Methods of dispersing carbon nanotubes BATTELLE MEMORIAL INSTITUTE (US) 2018-12-04 US claimed
US-20090317660-A1 Methods of Dispersing Carbon Nanotubes BATTELLE MEMORIAL INSTITUTE 2009-12-24 US claimed
WO-2008054472-A9 METHODS OF DISPERSING CARBON NANOTUBES BATTELLE MEMORIAL INSTITUTE (US) 2008-08-07 WO claimed
WO-2008054472-A2 METHODS OF DISPERSING CARBON NANOTUBES BATTELLE MEMORIAL INSTITUTE (US) 2008-05-08 WO claimed
US-10144638-B2 Methods of dispersing carbon nanotubes BATTELLE MEMORIAL INSTITUTE (US) 2018-12-04 US disclosed
US-20090317660-A1 Methods of Dispersing Carbon Nanotubes BATTELLE MEMORIAL INSTITUTE 2009-12-24 US disclosed
WO-2008054472-A9 METHODS OF DISPERSING CARBON NANOTUBES BATTELLE MEMORIAL INSTITUTE (US) 2008-08-07 WO disclosed
WO-2008054472-A2 METHODS OF DISPERSING CARBON NANOTUBES BATTELLE MEMORIAL INSTITUTE (US) 2008-05-08 WO disclosed
US-4179561-A REACTING A 3-DIAZOOXINDOLE WITH A SUBSTITUTED ACETYLENE E. R. SQUIBB & SONS, INC. (US) 1979-12-18 US disclosed
US-4112096-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4076818-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-02-28 US disclosed