SCHEMBL9434780

SCHEMBL9434780

CCCCCCCCCC(C)(C)C(S)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
MAPT P10636 2/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
CES2 O00748 1/20 0.40
KMT2A Q03164 1/20 0.39
CA2 P00918 1/20 0.39
MAPK1 P28482 1/20 0.39
ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL9435240 0.83 CA2 (0.47) CES2CA2
SCHEMBL10500677 0.81 CA2 (0.46) CES2CA2
SCHEMBL10500409 0.81 CA2 (0.46) CES2CA2
SCHEMBL10500602 0.81 CA2 (0.46) CES2CA2
SCHEMBL6320220 0.81 GPR84 (0.42) GRIK1GRIK2GPR84FFAR1MAPT
SCHEMBL11161811 0.80 GPR84 (0.45) GRIK1GRIK2GPR84FFAR1MAPT
SCHEMBL11166753 0.80 GPR84 (0.45) GRIK1GRIK2GPR84FFAR1MAPT
SCHEMBL12451280 0.78 ACE2 (0.44) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28727393 0.78 GPR84 (0.44) GRIK1GRIK2GPR84FFAR1MAPT
SCHEMBL28729115 0.78 GPR84 (0.44) GRIK1GRIK2GPR84FFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328769-A Applying gold solutions of mercaptocarboxylic acids on bases DEGUSSA AKTIENGESELLSCHAFT (DE) 1994-07-12 US disclosed
US-5312480-A Gold(I) mercaptocarboxylic acid esters, method of their preparation and use DEGUSSA AKTIENGESELLSCHAFT (DE) 1994-05-17 US disclosed
US-5235079-A Gold coating for ceramics; conductors for integrated circuits DEGUSSA AKTIENGESELLSCHAFT (DE) 1993-08-10 US disclosed