Clostebol

Clostebol

SCHEMBL23458372

CCCCCC(=O)O.C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 4/20 0.60
SRD5A2 P31213 3/20 0.55
CYP19A1 P11511 7/20 0.47
AR P10275 5/20 0.47
LMNA P02545 4/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP3A4 P08684 3/20 0.47
NR3C1 P04150 2/20 0.47
PGR P06401 2/20 0.47
SERPINA6 P08185 2/20 0.47
TSHR P16473 2/20 0.47
SNCA P37840 2/20 0.47
CACNA1C Q13936 2/20 0.47
CYP51A1 Q16850 2/20 0.47
GPBAR1 Q8TDU6 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
OR51E2 Q9H255 1/20 0.47
SRD5A1 P18405 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
Clostebol SCHEMBL23458227 0.91 SHBG (0.65) SHBGSRD5A2CYP19A1ARLMNA
Clostebol SCHEMBL216172 0.88 SHBG (0.69) SHBGSRD5A2CYP19A1ARLMNA
Clostebol SCHEMBL146712 0.88 SHBG (0.76) SHBGSRD5A2CYP19A1ARLMNA
Clostebol SCHEMBL4437252 0.88 SHBG (0.76) SHBGSRD5A2CYP19A1ARLMNA
SCHEMBL23458371 0.83 LMNA (0.66) SHBGSRD5A2CYP19A1ARLMNA
Testosterone SCHEMBL14694449 0.80 LMNA (0.77) SHBGCYP19A1ARLMNAHSD17B10
Behenic Acid SCHEMBL11429128 0.79 LMNA (0.75) SHBGCYP19A1ARLMNAHSD17B10
Testosterone SCHEMBL42688 0.79 LMNA (0.75) SHBGCYP19A1ARLMNAHSD17B10
Testosterone SCHEMBL5078098 0.79 LMNA (0.75) SHBGCYP19A1ARLMNAHSD17B10
Testosterone SCHEMBL5082498 0.79 LMNA (0.75) SHBGCYP19A1ARLMNAHSD17B10

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
WO-2021110987-A1 METHODS AND APPARATUSES FOR DIAGNOSING CANCER FROM CELL-FREE NUCLEIC ACIDS LIFE & SOFT (FR) 2021-06-10 WO disclosed