SCHEMBL574595

SCHEMBL574595

CCCCC[C@H](O)C(=O)S

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.61
FFAR1 O14842 2/20 0.61
FFAR4 Q5NUL3 1/20 0.45
CA1 P00915 1/20 0.45
NFKB1 P19838 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL20608405 1.00 GPR84 (0.61) GPR84FFAR1FFAR4CA1NFKB1
SCHEMBL21218753 0.98 GPR84 (0.65) GPR84FFAR1FFAR4MAPT
SCHEMBL21218755 0.98 GPR84 (0.65) GPR84FFAR1FFAR4MAPT
SCHEMBL4324869 0.98 GPR84 (0.65) GPR84FFAR1FFAR4MAPT
SCHEMBL11862843 0.96 GPR84 (0.63) GPR84FFAR1FFAR4MAPT
SCHEMBL20608406 0.93
SCHEMBL8995851 0.82
SCHEMBL7045666 0.80 GPR84 (0.67) GPR84FFAR1FFAR4CA1NFKB1
SCHEMBL4844023 0.79 GPR84 (0.43) GPR84FFAR1CA1MAPT
SCHEMBL1785261 0.78 GPR84 (0.64) GPR84FFAR1FFAR4CA1NFKB1

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
WO-2012017400-A1 SYNTHESIS OF ACYL-PANTETHEINE DERIVATIVES AND THE USE THEREOF IN THE SYNTHESIS OF ACYL-COENZYME A DERIVATIVES NORTH-WEST UNIVERSITY (ZA) 2012-02-09 WO disclosed
US-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 EP disclosed