SCHEMBL6832273

SCHEMBL6832273

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C(O)C[C@@H]43)[C@@H]1CCC2=O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 18/20 0.65
▸ SLC22A1 O15245 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ SHBG P04278 1/20 0.49
▸ SERPINA6 P08185 1/20 0.49
▸ THRB P10828 1/20 0.49

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
SCHEMBL7702311 0.86 CYP19A1 (0.67) CYP19A1ALDH1A1SHBGSERPINA6
SCHEMBL3658069 0.85 CYP19A1 (0.65) CYP19A1ALDH1A1SHBGSERPINA6
SCHEMBL9130696 0.85 CYP19A1 (0.65) CYP19A1ALDH1A1SHBGSERPINA6
SCHEMBL8209838 0.83 CYP19A1 (0.62) CYP19A1
SCHEMBL3816344 0.82 SERPINA6 (0.72) CYP19A1SLC22A1ALDH1A1SHBGSERPINA6
SCHEMBL6386655 0.82 AR (0.52) CYP19A1
SCHEMBL3660113 0.82 CYP19A1 (0.58) CYP19A1
SCHEMBL4945163 0.81 SHBG (0.48) CYP19A1SLC22A1ALDH1A1SHBGSERPINA6
SCHEMBL10623707 0.81 CYP19A1 (0.51) CYP19A1
SCHEMBL11023065 0.80 CYP19A1 (0.58) CYP19A1SHBGSERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002483-A1 Use of ester and ether derivatives of 4-hydroxy-19-norandrosterone to increase the level of the anabolic/androgenic hormone 4-hydroxy-19-nortestosterone in humans Paternoster, Mr. Vince 2004-01-01 — — US disclosed
US-20030199486-A1 Ester and ether derivatives of 4-hydroxy-19-nortestosterone and a method for the regulation of athletic function in humans NUTRI SPORT PHARMACAL, INC. (US) 2003-10-23 — — US disclosed
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