SCHEMBL9700274

SCHEMBL9700274

c1ccc(Cn2c(C3OCCCO3)nc(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.42
TNK2 Q07912 1/20 0.41
ALDH1A1 P00352 5/20 0.40
PDE6D O43924 1/20 0.40
ALDH2 P05091 1/20 0.40
ALDH3A1 P30838 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL9736479 0.84 ALDH1A1 (0.40) CFTRTNK2ALDH1A1PDE6DALDH2
SCHEMBL9737457 0.84 SOAT1 (0.48) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL9738313 0.82 SOAT1 (0.39) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL9698755 0.80 SOAT1 (0.43) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL9697807 0.80 SOAT1 (0.43) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL9700146 0.80 SOAT1 (0.43) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL9700095 0.80 SOAT1 (0.43) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL9700192 0.80 SOAT1 (0.43) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL9700121 0.80 SOAT1 (0.43) CFTRALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL9697997 0.80 SOAT1 (0.43) CFTRALDH1A1PDE6DALDH2ALDH3A1

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 4 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
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