SCHEMBL9030719

SCHEMBL9030719

Cc1ccc(CSC[C@H]2C[C@H](C(=O)OC(C)(C)C)CS2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
ALDH1A1 P00352 6/20 0.35
MAPT P10636 7/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
PPARD Q03181 2/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL9030724 1.00 PPARG (0.40) PPARGPPARAALDH1A1MAPTTDP1
SCHEMBL9030030 0.90 PPARG (0.41) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL9030024 0.90 PPARG (0.41) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL9031920 0.90 PPARG (0.40) PPARGPPARAALDH1A1SMN1; SMN2KMT2A
SCHEMBL9031929 0.90 PPARG (0.40) PPARGPPARAALDH1A1SMN1; SMN2KMT2A
SCHEMBL9030799 0.89 PPARG (0.41) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL9030810 0.89 PPARG (0.41) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL9032269 0.83 KMT2A (0.35) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL9032281 0.83 KMT2A (0.35) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL9031900 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2APKM

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
EP-0558287-B1 Tetrahydrothiophene derivatives SANTEN PHARMACEUTICAL CO LTD (JP) 1996-12-04 EP disclosed
US-5292767-A Tetrahydrothiophene derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1994-03-08 US disclosed
EP-0558287-A1 Tetrahydrothiophene derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1993-09-01 EP disclosed