SCHEMBL10273261

SCHEMBL10273261

C[C@]12CCC(=O)C[C@@H]1CCC1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
SHBG P04278 3/20 0.67
POLB P06746 1/20 0.67
MAPK1 P28482 1/20 0.67
AKR1B10 O60218 3/20 0.60
AKR1B1 P15121 3/20 0.60
CYP19A1 P11511 2/20 0.60
OR51E2 Q9H255 1/20 0.60
GPBAR1 Q8TDU6 3/20 0.58
AR P10275 2/20 0.58
NR3C1 P04150 1/20 0.58
PGR P06401 1/20 0.58
SERPINA6 P08185 1/20 0.58
NR3C2 P08235 1/20 0.58
CYP3A4 P08684 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MGAM O43451 1/20 0.58
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL10274137 1.00 MEN1 (0.74) MEN1KMT2ASHBGPOLBMAPK1
SCHEMBL10274435 1.00 MEN1 (0.74) MEN1KMT2ASHBGPOLBMAPK1
SCHEMBL13160896 1.00 MEN1 (0.74) MEN1KMT2ASHBGPOLBMAPK1
SCHEMBL15274236 1.00 MEN1 (0.74) MEN1KMT2ASHBGPOLBMAPK1
SCHEMBL13630725 1.00 MEN1 (0.74) MEN1KMT2ASHBGPOLBMAPK1
SCHEMBL10273598 1.00 MEN1 (0.74) MEN1KMT2ASHBGPOLBMAPK1
SCHEMBL15369418 0.93 MEN1 (0.64) MEN1KMT2ASHBGPOLBMAPK1
SCHEMBL10274139 0.93 MEN1 (0.64) MEN1KMT2ASHBGPOLBMAPK1
SCHEMBL10273925 0.93 MEN1 (0.64) MEN1KMT2ASHBGPOLBMAPK1
SCHEMBL10274338 0.93 MEN1 (0.64) MEN1KMT2ASHBGPOLBMAPK1

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
WO-2012083112-A2 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2012-06-21 WO disclosed