SCHEMBL16852315

SCHEMBL16852315

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 10/20 0.58
▸ AR P10275 10/20 0.58
▸ LMNA P02545 3/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ CYP19A1 P11511 5/20 0.44
▸ MAPT P10636 2/20 0.44
▸ GUSB P08236 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
SCHEMBL12568118 1.00 PGR (0.58) PGRARLMNAABCC4ABCB11
SCHEMBL10355943 0.85 PGR (0.50) PGRARLMNAABCC4ABCB11
SCHEMBL12568120 0.82 PGR (0.65) PGRARLMNAABCC4ABCB11
SCHEMBL16852314 0.82 PGR (0.65) PGRARLMNAABCC4ABCB11
SCHEMBL16852318 0.80 PGR (0.59) PGRARLMNAABCC4ABCB11
SCHEMBL16852429 0.80 PGR (0.59) PGRARLMNAABCC4ABCB11
SCHEMBL10355913 0.80 PGR (0.46) PGRARLMNAABCC4ABCB11
SCHEMBL16852316 0.80 PGR (0.59) PGRARLMNAABCC4ABCB11
SCHEMBL12568121 0.80 PGR (0.59) PGRARLMNAABCC4ABCB11
Spirorenone SCHEMBL8002313 0.77 PGR (0.68) PGRARLMNAABCC4ABCB11

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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