SCHEMBL13557235

SCHEMBL13557235

CCCCCC(C)[C@@H](C)C1C2C(CCC1(CC)CC)C1CCC(=O)C=C1C1C[C@H]12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.40
▸ PGR P06401 10/20 0.40
▸ NR3C2 P08235 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP19A1 P11511 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
SCHEMBL6900478 0.51 CYP2D6 (0.36) MAPT
SCHEMBL6901470 0.50 CCR2 (0.36) —
SCHEMBL11687431 0.49 — —
SCHEMBL13858888 0.48 OPRM1 (0.58) LMNA
SCHEMBL20197052 0.48 OPRM1 (0.39) —
SCHEMBL11616339 0.48 CYP1A2 (0.35) —
SCHEMBL28157455 0.47 ADH1B (0.38) MAPT
SCHEMBL11614377 0.47 CYP1A2 (0.38) —
SCHEMBL11486416 0.47 OPRM1 (0.55) LMNA
SCHEMBL325629 0.47 OPRM1 (0.55) LMNA

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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