SCHEMBL8769017

SCHEMBL8769017

COc1ccc([C@H]2C[C@@]3(C)[C@H](CC[C@]3(O)CCCOC3CCCCO3)[C@@H]3CC[C@@]4(O)CC5(CC[C@@H]4[C@H]32)OCCO5)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ STS P08842 1/20 0.31
▸ HSD11B1 P28845 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
SCHEMBL9176180 1.00 MEN1 (0.33) MEN1KMT2ANPC1RAB9ASTS
SCHEMBL8768102 0.94 STS (0.33) MEN1KMT2ASTS
SCHEMBL8768790 0.92 MEN1 (0.35) MEN1KMT2A
SCHEMBL8768966 0.91 MEN1 (0.33) MEN1KMT2A
SCHEMBL8768158 0.89 MEN1 (0.30) MEN1KMT2A
SCHEMBL9171847 0.84 NR3C1 (0.39) —
SCHEMBL13417509 0.82 PGR (0.35) HSD11B1
SCHEMBL8653316 0.76 LMNA (0.38) HSD11B1
SCHEMBL8768961 0.76 LMNA (0.38) HSD11B1
SCHEMBL9172523 0.76 LMNA (0.38) HSD11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567469-B1 14beta-H-, 14- AND 15-EN-11beta-ARYL-4-ESTRENES SCHERING AG (DE) 1997-08-27 — — EP disclosed
US-5426102-A Antigestagenic, antiandrogenic, antiglucocorticoid, antimineralcorticoid properties SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-20 — — US disclosed
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