SCHEMBL9753585

SCHEMBL9753585

Cc1cc(C)n2nc(-c3ccc(F)cc3)c(/C=C/C(O)CC(=O)CC(=O)O)c(C(C)C)c12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
PDE6D O43924 1/20 0.39
NR1I2 O75469 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL9753589 1.00 HMGCR (0.41) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753319 0.91 HMGCR (0.43) HMGCR
SCHEMBL9753326 0.91 HMGCR (0.43) HMGCR
SCHEMBL9753322 0.88 HMGCR (0.53) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753286 0.86 HMGCR (0.41) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753292 0.86 HMGCR (0.41) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753784 0.85 HMGCR (0.47) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753794 0.85 HMGCR (0.47) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753700 0.83 HMGCR (0.41) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9753706 0.83 HMGCR (0.41) HMGCRALDH1A1CYP3A4PDE6DNR1I2

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
WO-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed