SCHEMBL6439252

SCHEMBL6439252

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 13/20 0.78
▸ SHBG P04278 4/20 0.55
▸ LMNA P02545 4/20 0.53
▸ MAPT P10636 2/20 0.53
▸ CYP3A4 P08684 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.50
▸ SERPINA6 P08185 3/20 0.50
▸ NR3C1 P04150 2/20 0.50
▸ PGR P06401 2/20 0.50
▸ AR P10275 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ SNCA P37840 2/20 0.50
▸ CACNA1C Q13936 2/20 0.50
▸ CYP51A1 Q16850 2/20 0.50
▸ GPBAR1 Q8TDU6 2/20 0.50
▸ SIGMAR1 Q99720 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ OR51E2 Q9H255 1/20 0.50
▸ SLC22A1 O15245 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50

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
SCHEMBL13001778 0.89 CYP19A1 (1.00) CYP19A1SHBGLMNAMAPTCYP3A4
SCHEMBL12430769 0.89 CYP19A1 (1.00) CYP19A1SHBGLMNAMAPTCYP3A4
SCHEMBL15903 0.89 CYP19A1 (1.00) CYP19A1SHBGLMNAMAPTCYP3A4
SCHEMBL11020843 0.89 CYP19A1 (1.00) CYP19A1SHBGLMNAMAPTCYP3A4
SCHEMBL4431797 0.89 CYP19A1 (1.00) CYP19A1SHBGLMNAMAPTCYP3A4
SCHEMBL13752636 0.89 CYP19A1 (1.00) CYP19A1SHBGLMNAMAPTCYP3A4
SCHEMBL13787743 0.89 CYP19A1 (1.00) CYP19A1SHBGLMNAMAPTCYP3A4
SCHEMBL4361013 0.89 CYP19A1 (1.00) CYP19A1SHBGLMNAMAPTCYP3A4
SCHEMBL6437488 0.87 SHBG (0.62) CYP19A1SHBGLMNAMAPTCYP3A4
Sulfuric Acid SCHEMBL15901696 0.84 CYP19A1 (0.91) CYP19A1SHBGLMNAMAPTCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113354-A1 Bioavailable prodrugs of androgenic steroids and related method ROBERTS WILLIAM J (US) 2005-05-26 — — US disclosed
US-6740646-B2 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2004-05-25 — — US disclosed
US-20030134830-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 — — US disclosed
US-20030134831-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 — — US disclosed
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