SCHEMBL9014770

SCHEMBL9014770

CCCCCC(S)C(C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.50
ACE2 Q9BYF1 1/20 0.50
FFAR1 O14842 1/20 0.50
MAPT P10636 1/20 0.48
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
CA1 P00915 2/20 0.45
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL11284157 0.82 FAAH (0.45) GPR84ACE2FFAR1MAPTLCK
SCHEMBL15254550 0.80 EPHX1 (0.46) GPR84ACE2FFAR1MAPTLCK
SCHEMBL8927413 0.79 GPR84 (0.55) GPR84ACE2FFAR1MAPTLCK
SCHEMBL544448 0.78 GPR84 (0.54) GPR84ACE2FFAR1MAPTLCK
SCHEMBL18311500 0.78 GPR84 (0.54) GPR84ACE2FFAR1MAPTLCK
SCHEMBL5682106 0.78 GPR84 (0.48) GPR84ACE2FFAR1MAPTLCK
SCHEMBL18640748 0.78 GPR84 (0.48) GPR84ACE2FFAR1MAPTLCK
SCHEMBL3789476 0.78 GRIK1 (0.50) GPR84ACE2FFAR1MAPTLCK
SCHEMBL28035426 0.77 ACE2 (0.41) GPR84ACE2FFAR1MAPTLCK
SCHEMBL1115823 0.77 GPR84 (0.57) GPR84ACE2FFAR1MAPTLCK

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-5543545-A REACTING PREHEATED THIOCARBOXYLIC ACID WITH METHACRYLATE ESTER IN PRESENCE OF ORGANIC SOLVENT OR POLYMERIZATION INHIBITOR INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1996-08-06 US disclosed