SCHEMBL5572192

SCHEMBL5572192

C[C@]12CC[C@H]3[C@@H](CC=C4CC(O)(O)C=C[C@@]43C)[C@@H]1C[C@H](F)[C@@H]2N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
AR P10275 3/20 0.35
ESR2 Q92731 3/20 0.35
ESR1 P03372 2/20 0.35
SHBG P04278 1/20 0.34
SERPINA6 P08185 1/20 0.34
CYP19A1 P11511 3/20 0.34
CYP17A1 P05093 7/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
EBP Q15125 1/20 0.33
CYP1B1 Q16678 1/20 0.33
TBXAS1 P24557 1/20 0.33
SRD5A2 P31213 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5574814 1.00 L3MBTL1 (0.38) L3MBTL1ARESR2ESR1SHBG
SCHEMBL4305112 0.81 L3MBTL1 (0.42) L3MBTL1ARESR2ESR1SHBG
SCHEMBL1418909 0.81 L3MBTL1 (0.42) L3MBTL1ARESR2ESR1SHBG
SCHEMBL1418907 0.81 L3MBTL1 (0.42) L3MBTL1ARESR2ESR1SHBG
SCHEMBL4310477 0.81 L3MBTL1 (0.42) L3MBTL1ARESR2ESR1SHBG
SCHEMBL512336 0.79 CYP19A1 (0.36) L3MBTL1ARCYP19A1CYP17A1CYP1B1
SCHEMBL512337 0.79 CYP19A1 (0.36) L3MBTL1ARCYP19A1CYP17A1CYP1B1
SCHEMBL513011 0.75 L3MBTL1 (0.36) L3MBTL1ARESR2ESR1SHBG
SCHEMBL1419626 0.75 SHBG (0.63) ARESR2ESR1SHBGSERPINA6
SCHEMBL1419341 0.75 SHBG (0.63) ARESR2ESR1SHBGSERPINA6

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