SCHEMBL8359174

SCHEMBL8359174

CCCCC(C)C(C)(C(=O)O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.45
MAPK1 P28482 1/20 0.45
CTSK P43235 5/20 0.40
CA1 P00915 4/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
CTSS P25774 1/20 0.38
ACE2 Q9BYF1 1/20 0.36
GPR84 Q9NQS5 2/20 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
SCHEMBL11342234 0.88 CHRM1 (0.39) CA2MAPK1CTSKSLC1A3SLC1A2
SCHEMBL672514 0.82 ACACB (0.35) GPR84
SCHEMBL27998674 0.79 FFAR4 (0.44) GPR84
SCHEMBL942758 0.79 ACE2 (0.44) CA2CA1ACE2GPR84
SCHEMBL28657658 0.79 CA2 (0.48) CA2MAPK1CTSKCA1SLC1A3
SCHEMBL3745224 0.79 CA2 (0.48) CA2MAPK1CTSKCA1SLC1A3
SCHEMBL8764975 0.79 CHRM1 (0.42) CA2MAPK1CTSKSLC1A3SLC1A2
SCHEMBL14394856 0.79 TSHR (0.33) CA2MAPK1CTSKCTSSACE2
Ammonia Solution, Strong SCHEMBL27538268 0.78 GPR84 (0.47) CA2CA1ACE2GPR84
SCHEMBL13388492 0.78 GABRP (0.45) SLC1A3SLC1A2SLC1A1

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
US-5998340-A Lubricant and magnetic recording medium using the same HITACHI MAXELL, LTD. (JP) 1999-12-07 US disclosed