SCHEMBL11037205

SCHEMBL11037205

CC1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.83
▸ CYP3A4 P08684 6/20 0.83
▸ PGR P06401 5/20 0.83
▸ LMNA P02545 3/20 0.83
▸ CYP2D6 P10635 2/20 0.83
▸ CYP2C9 P11712 2/20 0.83
▸ ABCB11 O95342 2/20 0.83
▸ ADORA3 P0DMS8 2/20 0.83
▸ CYP1A2 P05177 1/20 0.83
▸ CYP2C19 P33261 1/20 0.83
▸ AR P10275 1/20 0.83
▸ PTGS1 P23219 1/20 0.83
▸ SLCO1B3 Q9NPD5 1/20 0.83
▸ SLCO1B1 Q9Y6L6 1/20 0.83
▸ USP2 O75604 3/20 0.75
▸ NR1I2 O75469 2/20 0.75
▸ MAPT P10636 2/20 0.75
▸ MLNR O43193 1/20 0.75
▸ CYP3A5 P20815 1/20 0.75
▸ PPARG P37231 1/20 0.75

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
SCHEMBL4102916 0.93 NR3C1 (0.72) NR3C1CYP3A4PGRLMNACYP2D6
SCHEMBL11251406 0.93 NR3C1 (0.72) NR3C1CYP3A4PGRLMNACYP2D6
SCHEMBL11037864 0.93 NR3C1 (0.72) NR3C1CYP3A4PGRLMNACYP2D6
SCHEMBL17002007 0.93 CYP3A4 (0.85) NR3C1CYP3A4PGRLMNACYP2D6
Mometasone Furoate SCHEMBL6414123 0.92 CYP3A4 (0.84) NR3C1CYP3A4PGRLMNACYP2D6
SCHEMBL11081794 0.91 NR3C1 (0.68) NR3C1CYP3A4PGRLMNACYP2D6
Dexamethasone Acefurate SCHEMBL139744 0.91 NR3C1 (0.69) NR3C1CYP3A4PGRLMNACYP2D6
Mometasone Furoate SCHEMBL25382496 0.91 CYP3A4 (1.00) NR3C1CYP3A4PGRLMNACYP2D6
Mometasone Furoate SCHEMBL7436523 0.91 CYP3A4 (1.00) NR3C1CYP3A4PGRLMNACYP2D6
Mometasone Furoate SCHEMBL8430908 0.91 CYP3A4 (1.00) NR3C1CYP3A4PGRLMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0057401-B1 AROMATIC HETEROCYCLIC ESTERS OF STEROIDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1984-08-01 — — EP claimed
EP-0057401-A1 Aromatic heterocyclic esters of steroids, their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-08-11 — — EP claimed
US-4472393-A ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 1984-09-18 — — US disclosed
EP-0057401-B1 AROMATIC HETEROCYCLIC ESTERS OF STEROIDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1984-08-01 — — EP disclosed
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