SCHEMBL6437488

SCHEMBL6437488

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 5/20 0.62
▸ SERPINA6 P08185 3/20 0.62
▸ SLC22A1 O15245 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ THRB P10828 1/20 0.62
▸ ESR2 Q92731 3/20 0.56
▸ ESR1 P03372 1/20 0.56
▸ CYP19A1 P11511 8/20 0.55
▸ PDK1 Q15118 2/20 0.54
▸ PDK2 Q15119 2/20 0.54
▸ PDK3 Q15120 2/20 0.54
▸ PDK4 Q16654 2/20 0.54
▸ AR P10275 5/20 0.50
▸ LMNA P02545 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ NR3C1 P04150 2/20 0.50
▸ PGR P06401 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ SNCA P37840 2/20 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
SCHEMBL6439252 0.87 CYP19A1 (0.78) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL7083829 0.81 AR (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL13415930 0.81 CYP17A1 (0.52) SERPINA6ALDH1A1ESR1CYP19A1AR
SCHEMBL6448737 0.81 ESR1 (0.54) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL6448612 0.81 ESR1 (0.54) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL6450159 0.81 ESR1 (0.54) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL6446120 0.79 LMNA (0.48) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL11017258 0.77 CYP19A1 (0.60) SHBGSERPINA6ALDH1A1CYP19A1LMNA
SCHEMBL6436205 0.77 MAPT (0.49) SHBGSERPINA6SLC22A1ALDH1A1THRB
Nandrolone SCHEMBL12101449 0.77 ALDH1A1 (1.00) SHBGSERPINA6SLC22A1ALDH1A1THRB

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 8 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 claimed
US-20030134830-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 — — US claimed
US-4447424-A ANTIFERTILITY, ANTIINFLAMMATORY AGENT, HORMONE INHIBITOR ROUSSEL UCLAF (FR) 1984-05-08 — — US claimed
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
US-5182381-A Intermediates for 3-keto-19-nor-Δ4,9 -steroids ROUSSEL ULCAF (FR) 1993-01-26 — — US disclosed
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