SCHEMBL16852429

SCHEMBL16852429

C[C@@]12C(=CC(=O)[C@@H]3CC31)C1(CC1)CC1C2CC[C@@]2(C)C1C1C[C@@H]1[C@@]21CCC(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 14/20 0.59
▸ AR P10275 13/20 0.59
▸ NR3C1 P04150 5/20 0.50
▸ CHRM2 P08172 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ ABCC4 O15439 1/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ OPRK1 P41145 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ HSD17B2 P37059 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL16852316 1.00 PGR (0.59) PGRARNR3C1CHRM2LMNA
SCHEMBL12568121 1.00 PGR (0.59) PGRARNR3C1CHRM2LMNA
SCHEMBL16852318 1.00 PGR (0.59) PGRARNR3C1CHRM2LMNA
SCHEMBL10355962 0.85 PGR (0.51) PGRARNR3C1CHRM2LMNA
SCHEMBL12568120 0.81 PGR (0.65) PGRARNR3C1CHRM2LMNA
SCHEMBL16852314 0.81 PGR (0.65) PGRARNR3C1CHRM2LMNA
SCHEMBL12568118 0.80 PGR (0.58) PGRARNR3C1CHRM2LMNA
SCHEMBL16852315 0.80 PGR (0.58) PGRARNR3C1CHRM2LMNA
SCHEMBL10355879 0.79 PGR (0.47) PGRARNR3C1CHRM2LMNA
SCHEMBL10355849 0.77 PGR (0.39) PGRARNR3C1CHRM2LMNA

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
EP-2265629-B1 BISMETHYLENE-17 CARBOLACTONES AND RELATED USES EVESTRA INC (US) 2015-06-24 — — EP disclosed
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