SCHEMBL9737635

SCHEMBL9737635

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 5/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CFTR P13569 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE6D O43924 1/20 0.34
ALDH2 P05091 1/20 0.34
ALDH3A1 P30838 1/20 0.34
FAAH O00519 3/20 0.34
CASR P41180 1/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL9737457 0.88 SOAT1 (0.48) SOAT1ALDH1A1KDM4ECFTRHPGD
SCHEMBL9700192 0.86 SOAT1 (0.43) SOAT1ALDH1A1KDM4ECFTRPDE6D
SCHEMBL9698755 0.86 SOAT1 (0.43) SOAT1ALDH1A1KDM4ECFTRPDE6D
SCHEMBL9700121 0.83 SOAT1 (0.43) SOAT1ALDH1A1KDM4ECFTRHPGD
SCHEMBL9700146 0.83 SOAT1 (0.43) SOAT1ALDH1A1KDM4ECFTRHPGD
SCHEMBL9700095 0.83 SOAT1 (0.43) SOAT1ALDH1A1KDM4ECFTRHPGD
SCHEMBL9697997 0.83 SOAT1 (0.43) SOAT1ALDH1A1KDM4ECFTRHPGD
SCHEMBL9697807 0.83 SOAT1 (0.43) SOAT1ALDH1A1KDM4ECFTRHPGD
SCHEMBL9738313 0.83 SOAT1 (0.39) SOAT1ALDH1A1KDM4ECFTRHPGD
SCHEMBL9699343 0.83 CFTR (0.39) SOAT1ALDH1A1KDM4ECFTRHPGD

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
US-5102900-A Antilipemic and anticholesterol agents RHONE-POULENC RORER S.A. (FR) 1992-04-07 US disclosed