SCHEMBL15225936

SCHEMBL15225936

CC(C)C(=O)OCC#CCSC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 10/20 0.70
▸ CYP3A4 P08684 7/20 0.70
▸ PGR P06401 5/20 0.70
▸ ABCB11 O95342 4/20 0.70
▸ LMNA P02545 4/20 0.70
▸ AR P10275 3/20 0.70
▸ PTGS1 P23219 2/20 0.70
▸ ADORA3 P0DMS8 2/20 0.70
▸ CYP2D6 P10635 2/20 0.70
▸ CYP2C9 P11712 2/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70
▸ SLCO1B3 Q9NPD5 1/20 0.70
▸ SLCO1B1 Q9Y6L6 1/20 0.70
▸ CNR1 P21554 2/20 0.53
▸ NR3C2 P08235 1/20 0.53
▸ USP2 O75604 4/20 0.52
▸ HIF1A Q16665 3/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ TBXA2R P21731 1/20 0.52

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
SCHEMBL15225899 0.93 NR3C1 (0.67) NR3C1CYP3A4PGRABCB11LMNA
SCHEMBL13928683 0.91 NR3C1 (0.75) NR3C1CYP3A4PGRABCB11LMNA
SCHEMBL4208384 0.91 NR3C1 (0.75) NR3C1CYP3A4PGRABCB11LMNA
SCHEMBL13950974 0.86 NR3C1 (0.79) NR3C1CYP3A4PGRABCB11LMNA
SCHEMBL12396688 0.84 NR3C1 (0.85) NR3C1CYP3A4PGRABCB11LMNA
SCHEMBL15226031 0.83 NR3C1 (0.77) NR3C1CYP3A4PGRABCB11LMNA
SCHEMBL4220984 0.83 NR3C1 (0.77) NR3C1CYP3A4PGRABCB11LMNA
SCHEMBL12398442 0.83 NR3C1 (0.73) NR3C1CYP3A4PGRABCB11LMNA
SCHEMBL15225970 0.83 NR3C1 (0.64) NR3C1CYP3A4PGRABCB11LMNA
Mometasone Furoate SCHEMBL25382496 0.82 CYP3A4 (1.00) NR3C1CYP3A4PGRABCB11LMNA

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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