SCHEMBL9260463

SCHEMBL9260463

CCCSCCSCCCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.58
PPARG P37231 7/20 0.58
PPARD Q03181 7/20 0.58
PPARA Q07869 7/20 0.58
TSHR P16473 6/20 0.58
HDAC11 Q96DB2 5/20 0.58
PTPN1 P18031 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TLR2 O60603 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
FABP4 P15090 2/20 0.58
HSD17B10 Q99714 2/20 0.58
KMT2A Q03164 2/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
SLC22A8 Q8TCC7 1/20 0.58
MEN1 O00255 1/20 0.58
ESR1 P03372 1/20 0.58
ALOX15 P16050 1/20 0.58
PDE4A P27815 1/20 0.58
PDE3A Q14432 1/20 0.58

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
SCHEMBL850610 0.98 GPR84 (0.60) GPR84PPARGPPARDPPARATSHR
SCHEMBL9264051 0.98 GPR84 (0.60) GPR84PPARGPPARDPPARATSHR
SCHEMBL7203254 0.98 GPR84 (0.60) GPR84PPARGPPARDPPARATSHR
SCHEMBL8159471 0.98 GPR84 (0.60) GPR84PPARGPPARDPPARATSHR
SCHEMBL723379 0.96 TSHR (0.61) GPR84PPARGPPARDPPARATSHR
SCHEMBL1604434 0.92 GPR84 (0.71) GPR84PPARGPPARDPPARATSHR
SCHEMBL9007926 0.92 GPR84 (0.64) GPR84PPARGPPARDPPARATSHR
SCHEMBL9709135 0.90 GPR84 (0.52) GPR84PPARGPPARDPPARATSHR
SCHEMBL1527358 0.89 GPR84 (0.67) GPR84PPARGPPARDPPARATSHR
SCHEMBL23891 0.89 GPR84 (0.74) GPR84PPARGPPARDPPARATSHR

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-5391564-A E.g., rhizoxin-13-yl 3-methylthiopropionate; anticarcinogenic agents SANKYO COMPANY, LIMITED (JP) 1995-02-21 US disclosed
US-5352689-A Rhizoxin derivatives and their use as anti-tumor agents SANKYO COMPANY, LIMITED (JP) 1994-10-04 US disclosed
EP-0350315-B1 RHIZOXIN DERIVATES AND THEIR USE AS ANTI-TUMOR AGENTS SANKYO COMPANY LIMITED (JP) 1993-06-16 EP disclosed
EP-0350315-A1 Rhizoxin derivates and their use as anti-tumor agents SANKYO COMPANY LIMITED (JP) 1990-01-10 EP disclosed