SCHEMBL17243786

SCHEMBL17243786

COc1ccc(OCc2cc([C@@H]3CCCN3C(=O)OC(C)(C)C)n[nH]2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.41
FKBP1A P62942 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
SCD O00767 1/20 0.39
HCRTR1 O43613 1/20 0.38
PDE4B Q07343 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CHEK2 O96017 1/20 0.38
STS P08842 1/20 0.37
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 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
SCHEMBL17243791 0.83 MEN1 (0.42) MEN1KMT2AHTTFKBP1AHDAC8
SCHEMBL17243782 0.82 FKBP1A (0.41) MEN1KMT2AFKBP1AHDAC8SCD
SCHEMBL17103758 0.81 FKBP1A (0.35) MEN1KMT2AFKBP1ASCDHCRTR1
SCHEMBL17103757 0.81 FKBP1A (0.35) MEN1KMT2AFKBP1ASCDHCRTR1
SCHEMBL17243796 0.79 ALDH1A1 (0.46) MEN1KMT2AHTTFKBP1ASCD
SCHEMBL15417979 0.79 FKBP1A (0.41) MEN1KMT2AHTTFKBP1AHDAC8
SCHEMBL17243774 0.79 ALDH1A1 (0.52) MEN1KMT2AHTTFKBP1AEPHA2
SCHEMBL15417963 0.79 SCD (0.42) MEN1KMT2AHTTFKBP1AHDAC8
SCHEMBL17243792 0.78 FKBP1A (0.40) FKBP1AHDAC8SCDHCRTR1PDE4B
SCHEMBL3180503 0.78 SCD (0.43) FKBP1ASCDHCRTR1NPC1RAB9A

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-9181229-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-9181229-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed