SCHEMBL16852314

SCHEMBL16852314

C[C@]12CCC(=O)C=C1C1(CC1)CC1C2CC[C@@]2(C)C1C1CC1[C@@]21CCC(=O)O1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 13/20 0.65
▸ AR P10275 11/20 0.65
▸ NR3C1 P04150 3/20 0.62
▸ CHRM2 P08172 2/20 0.62
▸ HTR2B P41595 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ ABCC4 O15439 1/20 0.62
▸ ABCB11 O95342 1/20 0.62
▸ HTR2A P28223 1/20 0.62
▸ OPRK1 P41145 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP17A1 P05093 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SHBG P04278 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ SRD5A1 P18405 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36

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
SCHEMBL12568120 1.00 PGR (0.65) PGRARNR3C1CHRM2HTR2B
SCHEMBL13342048 0.85 PGR (0.55) PGRARNR3C1CHRM2HTR2B
SCHEMBL10355878 0.85 PGR (0.55) PGRARNR3C1CHRM2HTR2B
SCHEMBL14256416 0.83 PGR (0.64) PGRARNR3C1CHRM2HTR2B
SCHEMBL18218187 0.83 PGR (0.64) PGRARNR3C1CHRM2HTR2B
SCHEMBL11041227 0.83 PGR (0.64) PGRARNR3C1CHRM2HTR2B
SCHEMBL14256378 0.83 PGR (0.64) PGRARNR3C1CHRM2HTR2B
SCHEMBL14668726 0.82 PGR (0.72) PGRARNR3C1CHRM2HTR2B
SCHEMBL13103488 0.82 PGR (0.72) PGRARNR3C1CHRM2HTR2B
SCHEMBL16852315 0.82 PGR (0.58) PGRARNR3C1CHRM2HTR2B

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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