SCHEMBL11866724

SCHEMBL11866724

CCC12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2OC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ PGR P06401 4/20 0.46
▸ AR P10275 4/20 0.46
▸ NR3C2 P08235 2/20 0.46
▸ SHBG P04278 2/20 0.45
▸ SERPINA6 P08185 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SLC22A1 O15245 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ CYP19A1 P11511 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ NR3C1 P04150 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ ESR1 P03372 1/20 0.44

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
SCHEMBL11868208 0.83 CYP19A1 (0.55) LMNAMAPTPGRARNR3C2
SCHEMBL11857859 0.79 LMNA (0.53) LMNAMAPTPGRARNR3C2
SCHEMBL11857855 0.79 LMNA (0.53) LMNAMAPTPGRARNR3C2
SCHEMBL11857100 0.79 MAPT (0.57) LMNAMAPTPGRARNR3C2
SCHEMBL11854733 0.78 LMNA (0.59) LMNAMAPTPGRARNR3C2
SCHEMBL11857040 0.78 SHBG (0.52) LMNAMAPTPGRARNR3C2
SCHEMBL11857033 0.78 SHBG (0.52) LMNAMAPTPGRARNR3C2
SCHEMBL11857201 0.78 LMNA (0.61) LMNAMAPTPGRARNR3C2
SCHEMBL11868660 0.77 LMNA (0.56) LMNAMAPTPGRARNR3C2
SCHEMBL11856991 0.77 SERPINA6 (0.51) LMNAMAPTPGRARNR3C2

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-3959322-A Synthesis of 13-alkyl-gon-4-ones Smith, Herchel (US) 1976-05-25 — — US disclosed
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