SCHEMBL9737622

SCHEMBL9737622

CCOC1(OCC)COC(c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 4/20 0.37
CFTR P13569 1/20 0.36
NPSR1 Q6W5P4 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PDE6D O43924 1/20 0.34
ALDH2 P05091 1/20 0.34
ALDH3A1 P30838 1/20 0.34
FAAH O00519 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 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 0.85 SOAT1 (0.48) SOAT1CFTRALDH1A1PDE6DALDH2
SCHEMBL9699343 0.83 CFTR (0.39) SOAT1CFTRNPSR1KMT2AALDH1A1
SCHEMBL9852391 0.82 SOAT1 (0.42) SOAT1CFTRNPSR1ALDH1A1SMN1; SMN2
SCHEMBL9697807 0.81 SOAT1 (0.43) SOAT1CFTRALDH1A1PDE6DALDH2
SCHEMBL9698755 0.81 SOAT1 (0.43) SOAT1CFTRALDH1A1PDE6DALDH2
SCHEMBL9700192 0.81 SOAT1 (0.43) SOAT1CFTRALDH1A1PDE6DALDH2
SCHEMBL9700095 0.81 SOAT1 (0.43) SOAT1CFTRALDH1A1PDE6DALDH2
SCHEMBL9700121 0.81 SOAT1 (0.43) SOAT1CFTRALDH1A1PDE6DALDH2
SCHEMBL9700146 0.81 SOAT1 (0.43) SOAT1CFTRALDH1A1PDE6DALDH2
SCHEMBL9697997 0.81 SOAT1 (0.43) 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
US-5102900-A Antilipemic and anticholesterol agents RHONE-POULENC RORER S.A. (FR) 1992-04-07 US disclosed
EP-0424195-A1 Imidazoles RHONE-POULENC SANTE (FR) 1991-04-24 EP disclosed