SCHEMBL10939993

SCHEMBL10939993

O=C(O)CCC(=O)N1C(c2ccccc2)SC[C@H]1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.57
▸ HSD17B10 Q99714 1/20 0.56
▸ FFAR2 O15552 7/20 0.49
▸ POLB P06746 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11385050 0.96 ACE (0.61) ACEHSD17B10FFAR2POLBGAA
SCHEMBL11257852 0.89 ACE (0.55) ACEHSD17B10FFAR2POLBGAA
SCHEMBL683641 0.88 ACE (0.73) ACEHSD17B10FFAR2POLBGAA
SCHEMBL8870565 0.84 HSD17B10 (0.57) ACEHSD17B10FFAR2POLBGAA
SCHEMBL8871013 0.84 HSD17B10 (0.57) ACEHSD17B10FFAR2POLBGAA
SCHEMBL10944184 0.84 ACE (0.80) ACEHSD17B10FFAR2POLBALDH1A1
SCHEMBL11061437 0.82 KMT2A (0.58) ACEHSD17B10FFAR2POLBGAA
SCHEMBL13091650 0.81 HSD17B10 (0.54) ACEHSD17B10FFAR2POLBGAA
SCHEMBL13101399 0.81 HSD17B10 (0.54) ACEHSD17B10FFAR2POLBGAA
SCHEMBL10943590 0.81 GAA (0.50) ACEHSD17B10FFAR2POLBGAA

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-0031104-B1 THIAZOLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-10-23 — — EP disclosed
US-4499102-A HYPOTENSIVE AND ANTIDIABETIC AGENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-02-12 — — US disclosed
EP-0031104-A1 Thiazolidine compounds, processes for their preparation and pharmaceutical compositions containing them SANTEN PHARMACEUTICAL CO., LTD. (JP) 1981-07-01 — — EP disclosed
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