SCHEMBL9149937

SCHEMBL9149937

CC(=O)N1C(C(=O)O)CSC1c1ccccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ FFAR2 O15552 10/20 0.51
▸ ACE P12821 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.46
▸ HSD17B10 Q99714 1/20 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
SCHEMBL4350452 0.81 POLB (0.72) POLBGAARAB9AFFAR2ACE
SCHEMBL23910562 0.81 POLB (0.72) POLBGAARAB9AFFAR2ACE
SCHEMBL5859631 0.81 POLB (0.72) POLBGAARAB9AFFAR2ACE
SCHEMBL11100890 0.81 ACE (0.77) POLBFFAR2ACELMNAALDH1A1
SCHEMBL11191933 0.80 ACE (0.58) POLBFFAR2ACELMNAALDH1A1
SCHEMBL11191943 0.73 ALDH1A1 (0.43) POLBFFAR2ACELMNAALDH1A1
SCHEMBL9153332 0.72 POLB (0.45) POLBGAARAB9AFFAR2ACE
SCHEMBL9853999 0.71 POLB (0.58) POLBGAARAB9AFFAR2ALDH1A1
SCHEMBL7186265 0.70 POLB (0.57) POLBGAARAB9AFFAR2ACE
Acetic Acid SCHEMBL9854087 0.70 POLB (0.57) POLBGAARAB9AFFAR2ALDH1A1

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
US-5385922-A Cardiovascular and gastrointestinal disorders; antiischemic and cardiotonic agents CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-31 — — US disclosed
EP-0547104-A1 THIAZOLIDIN DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1993-06-23 — — EP disclosed
WO-1992004337-A1 THIAZOLIDIN DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-03-19 — — WO disclosed
Send feedback