SCHEMBL11801563

SCHEMBL11801563

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21CCC1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.64
▸ PGR P06401 5/20 0.64
▸ CYP3A4 P08684 3/20 0.64
▸ ABCB11 O95342 3/20 0.64
▸ LMNA P02545 2/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ NR3C1 P04150 2/20 0.64
▸ SHBG P04278 2/20 0.64
▸ TSHR P16473 1/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ ESR1 P03372 1/20 0.64
▸ ADRA2A P08913 1/20 0.64
▸ SLC6A4 P31645 1/20 0.64
▸ AR P10275 4/20 0.62
▸ NR3C2 P08235 2/20 0.62
▸ MAPT P10636 2/20 0.57
▸ SERPINA6 P08185 2/20 0.57
▸ CHRM2 P08172 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57

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
Normethandrone SCHEMBL148631 0.82 PGR (0.73) CYP19A1PGRCYP3A4ABCB11LMNA
Normethandrone SCHEMBL23801610 0.82 PGR (0.73) CYP19A1PGRCYP3A4ABCB11LMNA
Normethandrone SCHEMBL148632 0.82 PGR (0.73) CYP19A1PGRCYP3A4ABCB11LMNA
SCHEMBL24476256 0.81 CYP3A4 (0.70) CYP19A1PGRCYP3A4ABCB11LMNA
SCHEMBL13160889 0.80 PGR (0.67) CYP19A1PGRCYP3A4ABCB11LMNA
SCHEMBL11942939 0.80 PGR (0.67) CYP19A1PGRCYP3A4ABCB11LMNA
SCHEMBL4213469 0.80 PGR (0.65) CYP19A1PGRCYP3A4ABCB11LMNA
SCHEMBL13160503 0.80 PGR (0.67) CYP19A1PGRCYP3A4ABCB11LMNA
SCHEMBL8425076 0.79 PGR (0.64) CYP19A1PGRCYP3A4ABCB11LMNA
Norethandrolone SCHEMBL23801611 0.79 LMNA (0.71) CYP19A1PGRCYP3A4ABCB11LMNA

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
US-3968132-A (17R)-Spiro-[androstane-17,1'-cyclobutan]-2'-ones, methods for their manufacture and intermediates useful therein SCHERING CORPORATION (US) 1976-07-06 — — US disclosed
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