SCHEMBL9253547

SCHEMBL9253547

O=C(O)CCCCCCCCCCCC(S)CS

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSTK1 Q9Y2Q3 2/20 0.64
ENPEP Q07075 5/20 0.59
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
FOLH1 Q04609 2/20 0.50
FFAR4 Q5NUL3 2/20 0.47
FFAR1 O14842 2/20 0.47
ALDH1A1 P00352 1/20 0.46
GPR84 Q9NQS5 1/20 0.44
ANPEP P15144 2/20 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
SCHEMBL3012513 1.00 GSTK1 (0.64) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL6361383 1.00 GSTK1 (0.64) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL2868539 1.00 GSTK1 (0.64) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL994189 0.98 GSTK1 (0.63) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL3018158 0.91 ENPEP (0.59) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL15956044 0.89 TSHR (0.60) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL21611884 0.85 GSTK1 (0.57) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL6809842 0.85 GSTK1 (0.57) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL18422675 0.85 FOLH1 (0.60) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL6805309 0.85 GSTK1 (0.57) GSTK1ENPEPLMNATSHRNFKB1

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