SCHEMBL5313823

SCHEMBL5313823

C[C@]12CC[C@H]3[C@@H](CC=C4C=C(O)C(O)=C[C@@]43C)[C@@H]1C[C@@H](F)[C@@H]2N

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.35
ESR2 Q92731 8/20 0.35
ESR1 P03372 7/20 0.35
AR P10275 7/20 0.35
CYP19A1 P11511 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SRD5A1 P18405 1/20 0.32
SHBG P04278 1/20 0.30
SERPINA6 P08185 1/20 0.30

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
SCHEMBL513011 0.82 L3MBTL1 (0.36) SRD5A2ESR2ESR1ARCYP19A1
SCHEMBL511826 0.81 ESR2 (0.36) SRD5A2ESR2ESR1ARCYP19A1
SCHEMBL5570856 0.74 CYP19A1 (0.43) SRD5A2ESR2ESR1ARCYP19A1
SCHEMBL5574814 0.73 L3MBTL1 (0.38) SRD5A2ESR2ESR1ARCYP19A1
SCHEMBL5572192 0.73 L3MBTL1 (0.38) SRD5A2ESR2ESR1ARCYP19A1
SCHEMBL512337 0.72 CYP19A1 (0.36) SRD5A2ARCYP19A1L3MBTL1SRD5A1
SCHEMBL512336 0.72 CYP19A1 (0.36) SRD5A2ARCYP19A1L3MBTL1SRD5A1
SCHEMBL4305112 0.72 L3MBTL1 (0.42) SRD5A2ESR2ESR1ARCYP19A1
SCHEMBL4310477 0.72 L3MBTL1 (0.42) SRD5A2ESR2ESR1ARCYP19A1
SCHEMBL1418909 0.72 L3MBTL1 (0.42) SRD5A2ESR2ESR1ARCYP19A1

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-1807118-A2 STEROID ANALOGS AND CHARACTERIZATION AND TREATMENT METHODS Hollis-Eden Pharmaceuticals Inc. (US) 2007-07-18 EP disclosed
WO-2007030124-A2 TREATMENT SCREENING METHODS HOLLIS-EDEN PHARMACEUTICALS, INC (US) 2007-03-15 WO disclosed
WO-2006110172-A2 STEROID ANALOGS AND CHARACTERIZATION AND TREATMENT METHODS HOLLIS-EDEN PHARMACEUTICALS.INC. (US) 2006-10-19 WO disclosed