SCHEMBL9700434

SCHEMBL9700434

CCC(Cn1cccn1)C1(C)COC(c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)OC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 5/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
CFTR P13569 1/20 0.32
PDE6D O43924 1/20 0.30
ALDH2 P05091 1/20 0.30
ALDH3A1 P30838 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9699292 0.84 KDM4E (0.40) SOAT1ALDH1A1KDM4ETSHRHPGD
SCHEMBL9698130 0.83 SOAT1 (0.41) SOAT1ALDH1A1KDM4ETSHRHPGD
SCHEMBL9700428 0.81 SOAT1 (0.49) SOAT1
SCHEMBL9698957 0.81 SOAT1 (0.49) SOAT1
SCHEMBL9737635 0.80 SOAT1 (0.38) SOAT1ALDH1A1KDM4ETSHRCFTR
SCHEMBL9698749 0.80 SOAT1 (0.40) SOAT1ALDH1A1KDM4ETSHRHPGD
SCHEMBL9737457 0.79 SOAT1 (0.48) SOAT1ALDH1A1KDM4ETSHRCFTR
SCHEMBL9697937 0.78 SOAT1 (0.58) SOAT1
SCHEMBL9700192 0.75 SOAT1 (0.43) SOAT1ALDH1A1KDM4ECFTRPDE6D
SCHEMBL9700095 0.75 SOAT1 (0.43) SOAT1ALDH1A1KDM4ETSHRCFTR

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