SCHEMBL9700042

SCHEMBL9700042

CC[C@]1(CCCCn2nc(C)cc2C)CO[C@H](c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 16/20 0.82
ACAT1 P24752 1/20 0.53

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
SCHEMBL9697938 1.00 SOAT1 (0.82) SOAT1ACAT1
SCHEMBL9700166 0.90 SOAT1 (1.00) SOAT1
SCHEMBL9699218 0.90 SOAT1 (1.00) SOAT1
SCHEMBL9698920 0.90 SOAT1 (1.00) SOAT1ACAT1
SCHEMBL9698735 0.90 SOAT1 (1.00) SOAT1ACAT1
Water SCHEMBL9697839 0.89 SOAT1 (0.98) SOAT1ACAT1
SCHEMBL9700039 0.83 SOAT1 (0.78) SOAT1
SCHEMBL9699214 0.83 SOAT1 (0.68) SOAT1ACAT1
SCHEMBL9698754 0.83 SOAT1 (0.72) SOAT1
SCHEMBL9698977 0.82 SOAT1 (0.79) SOAT1ACAT1

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
WO-1992017470-A1 IMIDAZOLES RHONE-POULENC RORER LIMITED (GB) 1992-10-15 WO disclosed
EP-0506437-A1 Imidazoles RHONE POULENC RORER LIMITED (GB) 1992-09-30 EP disclosed