SCHEMBL13556644

SCHEMBL13556644

CC(=O)CCC1(C)C2CC2C2C3C=CC4=CC(=O)CCC4C3CC[C@@]21C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 14/20 0.52
▸ PGR P06401 14/20 0.52
▸ NR3C2 P08235 2/20 0.52
▸ LMNA P02545 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NR3C1 P04150 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ SERPINA6 P08185 1/20 0.34

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
SCHEMBL3773112 0.83 AR (0.48) ARPGRNR3C2LMNACYP3A4
SCHEMBL10089125 0.81 AR (0.55) ARPGRNR3C2LMNACYP3A4
SCHEMBL16564526 0.79 AR (0.46) ARPGRNR3C2LMNACYP3A4
SCHEMBL4223212 0.78 AR (0.52) ARPGRNR3C2LMNACYP3A4
SCHEMBL12904908 0.78 AR (0.65) ARPGRNR3C2
SCHEMBL12904942 0.78 AR (0.65) ARPGRNR3C2
SCHEMBL12942706 0.78 AR (0.55) ARPGRNR3C2LMNANR3C1
SCHEMBL12942779 0.78 AR (0.55) ARPGRNR3C2LMNANR3C1
SCHEMBL13474770 0.78 AR (0.50) ARPGRNR3C2LMNACYP3A4
SCHEMBL12904977 0.78 AR (0.65) ARPGRNR3C2

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
Send feedback