SCHEMBL10158728

SCHEMBL10158728

C[C@]12Cc3c[nH]nc3CC1CCC1C3CC[C@](C)(O)C3CCC12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
ESR1 P03372 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 2/20 0.39
AR P10275 1/20 0.35
CYP7B1 O75881 1/20 0.35
CYP7A1 P22680 1/20 0.35
SLC10A1 Q14973 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
NR3C1 P04150 1/20 0.33
TP53 P04637 1/20 0.33
PGR P06401 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
AGTR1 P30556 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL10269436 0.83 AR (0.52) CYP2C19CYP2C9ARCYP7B1CYP7A1
SCHEMBL19634237 0.83 AR (0.52) CYP2C19CYP2C9ARCYP7B1CYP7A1
SCHEMBL19625269 0.83 AR (0.52) CYP2C19CYP2C9ARCYP7B1CYP7A1
Stanozolol SCHEMBL6151066 0.82 CYP2C19 (0.64) CYP2C19ADORA3ESR1CYP2D6CYP2C9
Stanozolol SCHEMBL44099 0.82 CYP2C19 (0.64) CYP2C19ADORA3ESR1CYP2D6CYP2C9
Stanozolol SCHEMBL12417517 0.82 CYP2C19 (0.64) CYP2C19ADORA3ESR1CYP2D6CYP2C9
Stanozolol SCHEMBL19645424 0.82 CYP2C19 (0.64) CYP2C19ADORA3ESR1CYP2D6CYP2C9
SCHEMBL27046793 0.79 CYP2C19 (0.52) CYP2C19ADORA3ESR1CYP2D6CYP2C9
SCHEMBL21392304 0.76 CYP2C19 (0.49) CYP2C19ADORA3ESR1CYP2D6CYP2C9
SCHEMBL27046803 0.75 CYP2C19 (0.45) CYP2C19ADORA3ESR1CYP2D6CYP2C9

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
EP-2446887-A2 Use of danazol for the treatment of Alzheimer's disease DMI Biosciences, Inc. (US) 2012-05-02 EP disclosed