SCHEMBL4448210

SCHEMBL4448210

CC1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.46
TBXAS1 P24557 1/20 0.46
SRD5A2 P31213 1/20 0.46
SHBG P04278 3/20 0.46
SERPINA6 P08185 2/20 0.46
G6PD P11413 2/20 0.46
LMNA P02545 2/20 0.46
PMP22 Q01453 2/20 0.46
TSHR P16473 2/20 0.46
ESR1 P03372 1/20 0.46
AR P10275 1/20 0.46
ESR2 Q92731 1/20 0.46
MEN1 O00255 1/20 0.46
GUSB P08236 1/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
CYP19A1 P11511 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL9939193 0.85 SHBG (0.64) CYP17A1TBXAS1SRD5A2SHBGSERPINA6
SCHEMBL3366382 0.85 SHBG (0.64) CYP17A1TBXAS1SRD5A2SHBGSERPINA6
SCHEMBL14149814 0.85 SHBG (0.64) CYP17A1TBXAS1SRD5A2SHBGSERPINA6
SCHEMBL12310691 0.85 SHBG (0.64) CYP17A1TBXAS1SRD5A2SHBGSERPINA6
SCHEMBL336035 0.85 SHBG (0.64) CYP17A1TBXAS1SRD5A2SHBGSERPINA6
SCHEMBL23155091 0.85 SHBG (0.64) CYP17A1TBXAS1SRD5A2SHBGSERPINA6
SCHEMBL11970666 0.85 SHBG (0.64) CYP17A1TBXAS1SRD5A2SHBGSERPINA6
SCHEMBL4617662 0.85 L3MBTL1 (0.62) CYP17A1TBXAS1SRD5A2SHBGSERPINA6
SCHEMBL13461623 0.85 SHBG (0.64) CYP17A1TBXAS1SRD5A2SHBGSERPINA6
SCHEMBL13076860 0.85 SHBG (0.64) CYP17A1TBXAS1SRD5A2SHBGSERPINA6

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 3 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
WO-1997036596-A9 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH 1997-12-04 WO disclosed