SCHEMBL3775794

SCHEMBL3775794

O=C(O)C(S)C(CO)(CO)CCCO

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
RNPEP Q9H4A4 1/20 0.31
CAMK2A Q9UQM7 1/20 0.31
ARG2 P78540 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL29092215 0.82 RNPEP (0.39) RNPEPDPP4
SCHEMBL2477883 0.72 GPR84 (0.31) GPR84FFAR1FFAR4
1,4-Butanediol SCHEMBL2969662 0.71 GPR84 (0.46) GPR84FFAR1FFAR4RNPEPCAMK2A
1,6-Hexanediol SCHEMBL15263061 0.69 GPR84 (0.50) GPR84FFAR1FFAR4RNPEPCAMK2A
SCHEMBL435282 0.68 RNPEP (0.32) RNPEP
1,4-Butanediol SCHEMBL4449579 0.67 RNPEP (0.44) GPR84FFAR1FFAR4RNPEPCAMK2A
SCHEMBL23358791 0.66 HSPD1 (0.49) GPR84FFAR1
SCHEMBL23160690 0.66 HSPD1 (0.49) GPR84FFAR1
SCHEMBL4451898 0.66 GPR84 (0.46) GPR84FFAR1FFAR4RNPEPCAMK2A
SCHEMBL432443 0.66 RNPEP (0.37) RNPEP

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-20100323202-A1 USE OF CARBOXYLIC ACID HYDRAZIDE FOR DE-BONDING POLYURETHANE ADHESIVES SIKA TECHNOLOGY AG (CH) 2010-12-23 US disclosed