SCHEMBL13557239

SCHEMBL13557239

C=CCC[C@@]1(/C=C\CO)[C@H]2CC2C2C3C=CC4=CC(=O)CCC4C3CCC21CC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.46
▸ PGR P06401 15/20 0.46
▸ NR3C2 P08235 4/20 0.46
▸ LMNA P02545 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ ESR1 P03372 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SHBG P04278 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ OPRM1 P35372 2/20 0.32

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
SCHEMBL13557258 0.84 AR (0.51) ARPGRNR3C2LMNASLC6A4
SCHEMBL13797484 0.84 AR (0.51) ARPGRNR3C2LMNASLC6A4
SCHEMBL12904866 0.84 AR (0.51) ARPGRNR3C2LMNASLC6A4
SCHEMBL13797572 0.84 AR (0.51) ARPGRNR3C2LMNASLC6A4
SCHEMBL13556655 0.81 AR (0.42) ARPGRNR3C2
SCHEMBL2818265 0.76 AR (0.51) ARPGRNR3C2LMNASLC6A4
SCHEMBL924304 0.75 AR (0.50) ARPGRNR3C2LMNASLC6A4
SCHEMBL925989 0.75 AR (0.50) ARPGRNR3C2LMNASLC6A4
SCHEMBL3766911 0.74 AR (0.51) ARPGRNR3C2LMNASLC6A4
SCHEMBL16564596 0.74 AR (0.49) ARPGRNR3C2LMNASLC6A4

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-2238148-B1 15,16-METHYLENE-17-(1'-PROPENYL)-17,3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP disclosed
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