SCHEMBL9028592

SCHEMBL9028592

CO[C@@H](C)Cc1c(O)ccc(C)c1S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
SCN5A Q14524 1/20 0.31

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
SCHEMBL9029091 1.00 NR3C1 (0.32) NR3C1PGRNR3C2SCN5A
SCHEMBL7604874 0.78 IGF1R (0.36)
SCHEMBL4208635 0.76 ESR1 (0.39) NR3C1PGRNR3C2
SCHEMBL872699 0.76 ALDH1A1 (0.34)
SCHEMBL9568441 0.75 HPGD (0.31) SCN5A
SCHEMBL10650084 0.73 LMNA (0.36) NR3C1PGRNR3C2
SCHEMBL8443514 0.72 HPGD (0.41)
SCHEMBL10618792 0.71 HPGD (0.33) NR3C1PGRNR3C2
SCHEMBL1838149 0.71 SRD5A1 (0.41)
SCHEMBL8624118 0.71 PTGS2 (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0521422-B1 Benzomorphanes and their use as pharmaceuticals BOEHRINGER INGELHEIM KG (DE) 1996-05-08 EP disclosed
EP-0521422-A1 Benzomorphanes and their use as pharmaceuticals BOEHRINGER INGELHEIM KG (DE) 1993-01-07 EP disclosed