SCHEMBL13557271

SCHEMBL13557271

CCC1([C@@]2(C)CCCO2)CC[C@H]2[C@@H](C=CC3=CC(=O)CC[C@@H]32)[C@@H]1C1CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.55
▸ NR3C2 P08235 6/20 0.55
▸ PGR P06401 15/20 0.53
▸ LMNA P02545 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ SHBG P04278 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL13474795 0.89 AR (0.57) ARNR3C2PGRLMNASLC6A4
SCHEMBL12942849 0.80 AR (0.57) ARNR3C2PGR
SCHEMBL13797573 0.80 AR (0.54) ARNR3C2PGRLMNASLC6A4
SCHEMBL12942781 0.80 AR (0.57) ARNR3C2PGR
SCHEMBL12942739 0.80 AR (0.57) ARNR3C2PGR
SCHEMBL13062189 0.79 AR (0.67) ARNR3C2PGRLMNASLC6A4
SCHEMBL13797681 0.77 AR (0.40) ARNR3C2PGRLMNASLC6A4
SCHEMBL12942706 0.73 AR (0.55) ARNR3C2PGRLMNANR3C1
SCHEMBL12942779 0.73 AR (0.55) ARNR3C2PGRLMNANR3C1
SCHEMBL12942714 0.73 AR (0.55) ARNR3C2PGRLMNANR3C1

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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