SCHEMBL4448019

SCHEMBL4448019

C[C@@]12CCC[C@H]1[C@@H]1CC=C3CC(O)(O)C(O)(O)C[C@]3(C)[C@H]1CC2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.41
CYP19A1 P11511 8/20 0.40
CYP17A1 P05093 3/20 0.39
TBXAS1 P24557 1/20 0.39
SRD5A2 P31213 1/20 0.39
SERPINA6 P08185 2/20 0.38
ESR1 P03372 1/20 0.38
AR P10275 1/20 0.38
ESR2 Q92731 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GUSB P08236 1/20 0.38
CYP3A4 P08684 1/20 0.38
G6PD P11413 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL3996133 0.83 SHBG (0.44) SHBGCYP19A1CYP17A1TBXAS1SRD5A2
SCHEMBL6899628 0.83 GRIN1 (0.53)
SCHEMBL1418483 0.80 CYP19A1 (0.44) SHBGCYP19A1CYP17A1TBXAS1SRD5A2
SCHEMBL32677686 0.79 SHBG (0.44) SHBGCYP19A1CYP17A1
SCHEMBL32677691 0.79 SHBG (0.44) SHBGCYP19A1CYP17A1
SCHEMBL9853331 0.77 SHBG (0.40) SHBGCYP19A1CYP17A1CYP3A4
SCHEMBL7259580 0.77 GRIN1 (0.40) SHBGCYP19A1CYP17A1
SCHEMBL5494151 0.77 CYP19A1 (0.48) SHBGCYP19A1CYP17A1
SCHEMBL23155091 0.76 SHBG (0.64) SHBGCYP17A1TBXAS1SRD5A2SERPINA6
SCHEMBL13461623 0.76 SHBG (0.64) SHBGCYP17A1TBXAS1SRD5A2SERPINA6

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
EP-2012773-A2 DRUGS AND USES Hollis-Eden Pharmaceuticals Inc. (US) 2009-01-14 EP disclosed
WO-2008039566-A2 DRUGS AND USES HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed