SCHEMBL14099451

SCHEMBL14099451

CCC1C2C=CC3=CC(=O)CC[C@H]3C2CC[C@]1(C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.49
▸ PGR P06401 9/20 0.49
▸ NR3C2 P08235 3/20 0.49
▸ CYP19A1 P11511 7/20 0.34
▸ SLC22A1 O15245 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SHBG P04278 1/20 0.32
▸ SERPINA6 P08185 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ OPRM1 P35372 1/20 0.31

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
SCHEMBL13474796 0.80 AR (0.50) ARPGRNR3C2CYP19A1SLC22A1
SCHEMBL13770649 0.78 AR (0.44) ARPGRNR3C2CYP19A1SLC22A1
SCHEMBL13474795 0.77 AR (0.57) ARPGRNR3C2SHBGLMNA
SCHEMBL9138228 0.76 AR (0.53) ARPGRNR3C2CYP19A1SLC22A1
SCHEMBL9138223 0.76 AR (0.53) ARPGRNR3C2CYP19A1SLC22A1
SCHEMBL13770129 0.75 AR (0.46) ARPGRNR3C2
SCHEMBL9138297 0.74 AR (0.47) ARPGRNR3C2SLC22A1ALDH1A1
SCHEMBL9138301 0.74 AR (0.47) ARPGRNR3C2SLC22A1ALDH1A1
SCHEMBL1656805 0.73 AR (0.58) ARPGRNR3C2CYP19A1
SCHEMBL13809834 0.73 AR (0.58) ARPGRNR3C2CYP19A1

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-1328538-B1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF 7-SUBSTITUTED ANTIESTROGENS ASTRAZENECA AB (SE) 2008-08-06 — — EP disclosed
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