SCHEMBL13556640

SCHEMBL13556640

C=C1C=C2CC(CC)C3C(CCC4(CC)C3C3CC3[C@@]43CCC(=O)O3)C2CC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 19/20 0.65
▸ AR P10275 19/20 0.65
▸ NR3C2 P08235 3/20 0.46
▸ LMNA P02545 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2B P41595 1/20 0.38

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
SCHEMBL13556634 0.91 PGR (0.78) PGRARNR3C2
SCHEMBL12943049 0.91 PGR (0.78) PGRARNR3C2
SCHEMBL12998930 0.89 PGR (0.65) PGRARNR3C2LMNAABCC4
SCHEMBL14949843 0.87 PGR (0.62) PGRARNR3C2LMNAABCC4
SCHEMBL12943047 0.81 AR (0.76) PGRARNR3C2
SCHEMBL16572798 0.81 AR (0.76) PGRARNR3C2
SCHEMBL16572811 0.81 AR (0.75) PGRARNR3C2
SCHEMBL13796418 0.81 AR (0.75) PGRARNR3C2
SCHEMBL12942947 0.81 AR (0.75) PGRARNR3C2
SCHEMBL13768715 0.81 AR (0.75) PGRARNR3C2

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-2238150-B1 15,16-METHYLENE-17-HYDROXY-19-NOR-21-CARBOXYLIC ACID y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP disclosed
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