SCHEMBL9700121

SCHEMBL9700121

C[C@]1(CN)CO[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)OC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 15/20 0.43
CFTR P13569 1/20 0.37
ALDH1A1 P00352 2/20 0.34
PDE6D O43924 1/20 0.34
ALDH2 P05091 1/20 0.34
ALDH3A1 P30838 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9700146 1.00 SOAT1 (0.43) SOAT1CFTRALDH1A1PDE6DALDH2
SCHEMBL9697807 0.89 SOAT1 (0.43) SOAT1CFTRALDH1A1PDE6DALDH2
SCHEMBL9700192 0.89 SOAT1 (0.43) SOAT1CFTRALDH1A1PDE6DALDH2
SCHEMBL9700095 0.89 SOAT1 (0.43) SOAT1CFTRALDH1A1PDE6DALDH2
SCHEMBL9697997 0.89 SOAT1 (0.43) SOAT1CFTRALDH1A1PDE6DALDH2
SCHEMBL9698755 0.89 SOAT1 (0.43) SOAT1CFTRALDH1A1PDE6DALDH2
SCHEMBL9737457 0.89 SOAT1 (0.48) SOAT1CFTRALDH1A1PDE6DALDH2
SCHEMBL9852391 0.87 SOAT1 (0.42) SOAT1CFTRALDH1A1HPGD
SCHEMBL9700090 0.85 SOAT1 (0.51) SOAT1CFTR
SCHEMBL9737635 0.83 SOAT1 (0.38) SOAT1CFTRALDH1A1PDE6DALDH2

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