SCHEMBL15949294

SCHEMBL15949294

CCOC(=O)OC1CCN(c2ccc([C@@H](C/C(=N\O)c3ccnc(C)c3)c3ccccc3C)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.59
CTSA P10619 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ACACB O00763 7/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL15949317 0.92 GPBAR1 (0.62) GPBAR1CTSAACACBMAPTMEN1
SCHEMBL15949212 0.92 GPBAR1 (0.62) GPBAR1CTSAACACBMAPTMEN1
SCHEMBL1390149 0.90 GPBAR1 (0.61) GPBAR1MAPTTP53KDM4EMEN1
SCHEMBL363177 0.90 GPBAR1 (0.61) GPBAR1MAPTTP53KDM4EMEN1
SCHEMBL1389955 0.86 GPBAR1 (0.65) GPBAR1CTSAKDM4EMEN1KMT2A
SCHEMBL1389953 0.86 GPBAR1 (0.65) GPBAR1CTSAKDM4EMEN1KMT2A
SCHEMBL1389958 0.86 GPBAR1 (0.65) GPBAR1CTSAKDM4EMEN1KMT2A
SCHEMBL1389739 0.86 GPBAR1 (0.65) GPBAR1CTSAKDM4EMEN1KMT2A
SCHEMBL364189 0.86 GPBAR1 (0.65) GPBAR1CTSAKDM4EMEN1KMT2A
SCHEMBL362777 0.86 GPBAR1 (0.65) GPBAR1CTSAKDM4EMEN1KMT2A

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed