SCHEMBL13797350

SCHEMBL13797350

CC12CCC3C4CCC(=O)C=C4CCC3C1[C@H]1C[C@H]1C21CCCO1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 10/20 0.73
▸ AR P10275 9/20 0.73
▸ NR3C2 P08235 2/20 0.53
▸ CYP19A1 P11511 2/20 0.50
▸ LMNA P02545 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ ABCB11 O95342 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ SHBG P04278 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ SERPINA6 P08185 1/20 0.47

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
SCHEMBL12942762 1.00 PGR (0.73) PGRARNR3C2CYP19A1LMNA
SCHEMBL12942783 1.00 PGR (0.73) PGRARNR3C2CYP19A1LMNA
SCHEMBL12942772 1.00 PGR (0.73) PGRARNR3C2CYP19A1LMNA
SCHEMBL12942812 0.88 PGR (0.56) PGRARNR3C2CYP19A1LMNA
SCHEMBL16545328 0.85 PGR (0.56) PGRARNR3C2CYP19A1LMNA
SCHEMBL12942737 0.85 PGR (0.56) PGRARNR3C2CYP19A1LMNA
SCHEMBL12942848 0.85 PGR (0.74) PGRARNR3C2CYP19A1LMNA
SCHEMBL12942787 0.85 AR (0.74) PGRARNR3C2LMNA
SCHEMBL12942799 0.85 AR (0.74) PGRARNR3C2LMNA
SCHEMBL12942816 0.85 PGR (0.56) PGRARNR3C2CYP19A1LMNA

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
WO-2009083271-A1 15,16-METHYLENE-17-(1'-PROPENYL)-17,3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
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