SCHEMBL11158754

SCHEMBL11158754

CC(C)CCCCCC(S)C(=O)[O-].CCCC[Sn+3].[S-2]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 2/20 0.41
GPR84 Q9NQS5 4/20 0.35
ACE2 Q9BYF1 1/20 0.33
NFKB1 P19838 3/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
FFAR1 O14842 1/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 1/20 0.32
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32

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
SCHEMBL10593373 1.00 CA1 (0.43) CA1CA2GPR84ACE2NFKB1
SCHEMBL4153925 0.98 CA1 (0.44) CA1CA2GPR84ACE2NFKB1
SCHEMBL2934933 0.94 CA1 (0.47) CA1CA2GPR84ACE2NFKB1
SCHEMBL6465618 0.90 CA2 (0.50) CA1CA2GPR84NFKB1ZDHHC7
SCHEMBL10332228 0.90 CA2 (0.50) CA1CA2GPR84NFKB1ZDHHC7
SCHEMBL5829994 0.87 CA2 (0.50) CA1CA2GPR84NFKB1ZDHHC7
SCHEMBL11042185 0.87 CA2 (0.50) CA1CA2GPR84NFKB1ZDHHC7
SCHEMBL5829518 0.87 CA2 (0.50) CA1CA2GPR84NFKB1ZDHHC7
SCHEMBL5829181 0.87 CA2 (0.50) CA1CA2GPR84NFKB1ZDHHC7
SCHEMBL5829515 0.87 CA2 (0.50) CA1CA2GPR84NFKB1ZDHHC7

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-4402887-A CALENDERING WITH PLASTICIZER, PHOTOSENSITIZER, STABILIZERS, AND POLYMERIZATION INHIBITOR, THEN IRRADIATING WITH ULTRAUIOLET RADIATION DAINIPPON INK AND CHEMICALS INC. (JP) 1983-09-06 US disclosed