SCHEMBL28041948

SCHEMBL28041948

[AlH3].[CH2]C(CCCC)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 5/20 0.40
FDPS P14324 1/20 0.38
FAAH O00519 1/20 0.38
CES1 P23141 1/20 0.36
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

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
SCHEMBL7030922 0.98
SCHEMBL28041816 0.95 CA2 (0.41) CA2MAPK1CA1FDPSFAAH
SCHEMBL28618445 0.88 FAAH (0.49) CA2FDPSFAAHGPR84FFAR1
SCHEMBL28407044 0.88 FAAH (0.49) CA2FDPSFAAHGPR84FFAR1
SCHEMBL3227977 0.82
SCHEMBL2309562 0.78
Hydrochloric Acid SCHEMBL28849390 0.76 CA2 (0.52) CA2MAPK1CA1FDPSGPR84
SCHEMBL7860768 0.76
SCHEMBL28936088 0.73 CA2 (0.44) CA2MAPK1CA1FAAH
SCHEMBL27617288 0.73 CA2 (0.59) CA2MAPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105086004-A STUDLESS WINTER TIRE SUMITOMO RUBBER IND 2015-11-25 CN disclosed