SCHEMBL15225970

SCHEMBL15225970

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCC#CCO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 13/20 0.64
▸ PGR P06401 7/20 0.64
▸ AR P10275 2/20 0.64
▸ PTGS1 P23219 2/20 0.64
▸ NR3C2 P08235 1/20 0.64
▸ CNR1 P21554 1/20 0.64
▸ CYP3A4 P08684 6/20 0.61
▸ LMNA P02545 3/20 0.61
▸ CYP2D6 P10635 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ ABCB11 O95342 2/20 0.61
▸ ADORA3 P0DMS8 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ SLCO1B3 Q9NPD5 1/20 0.61
▸ SLCO1B1 Q9Y6L6 1/20 0.61
▸ MMP1 P03956 8/20 0.56
▸ USP2 O75604 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55

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
SCHEMBL4208384 0.91 NR3C1 (0.75) NR3C1PGRARPTGS1NR3C2
SCHEMBL13928683 0.91 NR3C1 (0.75) NR3C1PGRARPTGS1NR3C2
SCHEMBL4008052 0.91 NR3C1 (0.78) NR3C1PGRARPTGS1NR3C2
SCHEMBL3999196 0.91 NR3C1 (0.78) NR3C1PGRARPTGS1NR3C2
SCHEMBL27255186 0.91 NR3C1 (0.78) NR3C1PGRARPTGS1NR3C2
SCHEMBL14421282 0.90 NR3C1 (0.60) NR3C1PGRARPTGS1NR3C2
SCHEMBL4216341 0.88 NR3C1 (0.66) NR3C1PGRARPTGS1NR3C2
SCHEMBL4226974 0.88 NR3C1 (0.83) NR3C1PGRARPTGS1NR3C2
SCHEMBL13928702 0.88 NR3C1 (0.83) NR3C1PGRARPTGS1NR3C2
SCHEMBL4214334 0.88 NR3C1 (0.83) NR3C1PGRARPTGS1NR3C2

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-2004667-B1 NOVEL 11 BETA - HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCED RES CO LTD (IN) 2013-09-04 — — EP disclosed
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