SCHEMBL9030799

SCHEMBL9030799

COc1ccc(CSC[C@H]2C[C@H](C(=O)OC(C)(C)C)CS2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CRBN Q96SW2 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP13 P45452 1/20 0.36
CACNA1B Q00975 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 5/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.35
ACE P12821 1/20 0.35
CYP3A4 P08684 1/20 0.34
FFAR1 O14842 1/20 0.34
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL9030810 1.00 PPARG (0.41) PPARGPPARACRBNSMN1; SMN2MMP1
SCHEMBL9030719 0.89 PPARG (0.40) PPARGPPARASMN1; SMN2ALDH1A1PKM
SCHEMBL9030724 0.89 PPARG (0.40) PPARGPPARASMN1; SMN2ALDH1A1PKM
SCHEMBL9030024 0.88 PPARG (0.41) PPARGPPARASMN1; SMN2CACNA1BGAA
SCHEMBL9030030 0.88 PPARG (0.41) PPARGPPARASMN1; SMN2CACNA1BGAA
SCHEMBL9031929 0.88 PPARG (0.40) PPARGPPARACRBNSMN1; SMN2GAA
SCHEMBL9031920 0.88 PPARG (0.40) PPARGPPARACRBNSMN1; SMN2GAA
SCHEMBL9031265 0.83 ELANE (0.36) PPARGPPARASMN1; SMN2CACNA1BALDH1A1
SCHEMBL9031272 0.83 ELANE (0.36) PPARGPPARASMN1; SMN2CACNA1BALDH1A1
SCHEMBL9032528 0.73 FABP7 (0.41) SMN1; SMN2MMP1MMP9ALDH1A1PKM

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