SCHEMBL9007909

SCHEMBL9007909

OC(O)CCSc1cc[c]cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL11379220 0.79 MAOA (0.51) ALDH1A1MAPK1MAOAMAOB
SCHEMBL8508068 0.77 ALDH1A1 (0.34) ALDH1A1MAPK1
SCHEMBL4612709 0.76 CA2 (0.47) ALDH1A1MAPK1
SCHEMBL1010463 0.72 CA2 (0.50) ALDH1A1MAPK1MAOAMAOB
SCHEMBL5467678 0.71 ALDH1A1 (0.39) ALDH1A1MAPK1
SCHEMBL2879670 0.71 CA12 (0.47) ALDH1A1MAPK1MAOAMAOB
SCHEMBL4612773 0.71 ALDH1A1 (0.39) ALDH1A1MAPK1
SCHEMBL4613527 0.71 ALDH1A1 (0.39) ALDH1A1MAPK1
SCHEMBL6276055 0.71 CA2 (0.51) ALDH1A1MAPK1
SCHEMBL11281750 0.70

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
EP-0476457-B1 2-Benzothiazolyl tetrazolium salt indicators BAYER AG (US) 1996-12-04 EP disclosed
EP-0476454-B1 Analytical method using tetrazolium salt indicators having a reflectance plateau BAYER AG (US) 1996-10-23 EP disclosed
US-5300637-A Useful in determination of reducing substances MILES INC. (US) 1994-04-05 US disclosed
US-5126275-A Chromogenic reducing indicators for reducing substances such as NADH MILES INC. (US) 1992-06-30 US disclosed