Testosterone

Testosterone

SCHEMBL8075829

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

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AR

The experimentally established mechanism targets of Testosterone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR known ✓ P10275 5/20 0.83
LMNA P02545 8/20 0.83
CYP3A4 P08684 8/20 0.83
TSHR P16473 5/20 0.83
SHBG P04278 5/20 0.83
CYP19A1 P11511 5/20 0.83
MAPT P10636 5/20 0.83
HSD17B10 Q99714 4/20 0.83
SERPINA6 P08185 4/20 0.83
NR3C1 P04150 4/20 0.83
PGR P06401 4/20 0.83
MAPK1 P28482 4/20 0.83
GPBAR1 Q8TDU6 3/20 0.83
SIGMAR1 Q99720 3/20 0.83
SNCA P37840 2/20 0.83
CACNA1C Q13936 2/20 0.83
CYP51A1 Q16850 2/20 0.83
OR51E2 Q9H255 1/20 0.83
ALDH1A1 P00352 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65

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
Testosterone SCHEMBL14694449 0.96 LMNA (0.77) LMNACYP3A4TSHRSHBGCYP19A1
Behenic Acid SCHEMBL11429128 0.95 LMNA (0.75) LMNACYP3A4TSHRSHBGCYP19A1
Testosterone SCHEMBL5078098 0.95 LMNA (0.75) LMNACYP3A4TSHRSHBGCYP19A1
Testosterone SCHEMBL5080100 0.95 LMNA (0.75) LMNACYP3A4TSHRSHBGCYP19A1
Testosterone SCHEMBL5078860 0.95 LMNA (0.75) LMNACYP3A4TSHRSHBGCYP19A1
Testosterone SCHEMBL5082498 0.95 LMNA (0.75) LMNACYP3A4TSHRSHBGCYP19A1
Testosterone SCHEMBL2023832 0.95 LMNA (0.75) LMNACYP3A4TSHRSHBGCYP19A1
Testosterone SCHEMBL42688 0.95 LMNA (0.75) LMNACYP3A4TSHRSHBGCYP19A1
Testosterone SCHEMBL1087216 0.95 LMNA (0.75) LMNACYP3A4TSHRSHBGCYP19A1
Testosterone SCHEMBL14694321 0.95 LMNA (0.78) LMNACYP3A4TSHRSHBGCYP19A1

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-0707474-B1 MEDICAL USE OF ORGANIC AEROGELS AND BIODEGRADABLE ORGANIC AEROGELS NYCOMED IMAGING AS (NO) 2000-08-16 EP disclosed
EP-0707474-A1 MEDICAL USE OF ORGANIC AEROGELS AND BIODEGRADABLE ORGANIC AEROGELS NYCOMED IMAGING AS (NO) 1996-04-24 EP disclosed
WO-1995001165-A1 MEDICAL USE OF ORGANIC AEROGELS AND BIODEGRADABLE ORGANIC AEROGELS HOLMES, MICHAEL, JOHN (GB) 1995-01-12 WO disclosed