SCHEMBL6427261

SCHEMBL6427261

CCCCN(S)[C@@H](CS)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
SLC1A3 P43003 1/20 0.34
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
MAPT P10636 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33

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
SCHEMBL4241320 0.94 GPR84 (0.37) CA12CA1CA9CA2MAPK1
SCHEMBL4241326 0.94 GPR84 (0.37) CA12CA1CA9CA2MAPK1
SCHEMBL11583564 0.88 CA12 (0.35) CA12CA1CA9CA2SLC1A2
SCHEMBL23829900 0.88 CA12 (0.35) CA12CA1CA9CA2SLC1A2
SCHEMBL7150005 0.79 PTGS1 (0.36) MAPTCHRM1AKR1A1CHRM3HTR2A
SCHEMBL11584178 0.79 PTGS1 (0.36) MAPTCHRM1AKR1A1CHRM3HTR2A
SCHEMBL4771369 0.77 NOD1 (0.44) CA12CA1CA9CA2MAPK1
SCHEMBL4771375 0.77 NOD1 (0.44) CA12CA1CA9CA2MAPK1
SCHEMBL15047641 0.76 NOD1 (0.46) GPR84FFAR1GRIK1GRIK2MAPT
SCHEMBL28655988 0.76 NOD1 (0.46) GPR84FFAR1GRIK1GRIK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4120726-A Silver-halide emulsion sensitized with an asymmetrical disulfide VEB FILMFABRIK WOLFEN (DD) 1978-10-17 US claimed
EP-1606065-A2 METHODS AND MATERIALS FOR NANOCRYSTALLINE SURFACE COATINGS AND ATTACHMENT OF PEPTIDE AMPHIPHILE NANOFIBERS THEREON NORTHWESTERN UNIVERSITY (US) 2005-12-21 EP disclosed
WO-2004072104-A2 METHODS AND MATERIALS FOR NANOCRYSTALLINE SURFACE COATINGS AND ATTACHMENT OF PEPTIDE AMPHIPHILE NANOFIBERS THEREON NORTHWESTERN UNIVERSITY (US) 2004-08-26 WO disclosed
US-4120726-A Silver-halide emulsion sensitized with an asymmetrical disulfide VEB FILMFABRIK WOLFEN (DD) 1978-10-17 US disclosed