SCHEMBL9568441

SCHEMBL9568441

Cc1ccc(O)c(CCOC(C)C)c1S(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN5 P54829 1/20 0.31
PTPN11 Q06124 1/20 0.31
SCN5A Q14524 1/20 0.31
CYP3A4 P08684 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL872699 0.84 ALDH1A1 (0.34) HPGD
SCHEMBL900006 0.81 KMT2A (0.35) HPGD
SCHEMBL8443514 0.77 HPGD (0.41) HPGDCYP3A4RAB9A
SCHEMBL10357774 0.77 KCNH2 (0.39) SCN5A
SCHEMBL9029091 0.75 NR3C1 (0.32) SCN5A
SCHEMBL9028592 0.75 NR3C1 (0.32) SCN5A
SCHEMBL4208635 0.75 ESR1 (0.39) HPGDCYP3A4
SCHEMBL7071459 0.75 TYR (0.44) CYP3A4
SCHEMBL11458697 0.75 TYR (0.44) CYP3A4
SCHEMBL7604874 0.74 IGF1R (0.36) HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524146-A1 Aminosubstituted Piperazinederivatives CIBA-GEIGY AG (CH) 1993-01-20 EP disclosed