SCHEMBL6445932

SCHEMBL6445932

CCCCC(CC)C(N)=O.CCCCC(CC)C(N)=O.[LiH]

nearest known ligand 0.95

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.95
CA1 P00915 5/20 0.95
MAPK1 P28482 2/20 0.61
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
SLC1A3 P43003 1/20 0.47
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
USP2 O75604 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL1537431 1.00 CA2 (0.95) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL376915 0.98 CA2 (1.00) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL7038841 0.98 CA2 (1.00) CA2CA1MAPK1SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL9204810 0.95 CA2 (0.95) CA2CA1MAPK1SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL28590798 0.95 CA2 (0.95) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL9542331 0.95 CA2 (0.95) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL29239887 0.93 CA2 (0.91) CA2CA1MAPK1SLC1A2SLC1A1
Methylsulfanylmethane SCHEMBL29239886 0.91 CA2 (0.88) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL277393 0.91 CA2 (0.87) CA2CA1MAPK1SLC1A2SLC1A1
Formic Acid SCHEMBL29268554 0.90 CA2 (0.84) CA2CA1MAPK1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1184412-B1 Rubber composition and heavy duty pneumetic tire using the rubber composition BRIDGESTONE CORP (JP) 2005-01-12 EP disclosed
US-6822027-B2 MODIFIED STYRENE-BUTADIENE COPOLYMER RUBBER THAT HAS A TIN ATOM, NATURAL RUBBER OR SYNTHETIC ISOPRENE RUBBERS, AND A HYDRAZIDE COMPOUND. BRIDGESTONE CORPORATION (JP) 2004-11-23 US disclosed
US-20020049294-A1 Rubber composition and heavy duty pneumatic tire using the rubber composition BRIDGESTONE CORPORATION 2002-04-25 US disclosed
EP-1184412-A1 Rubber composition and heavy duty pneumetic tire using the rubber composition Bridgestone Corporation (JP) 2002-03-06 EP disclosed