SCHEMBL7860725

SCHEMBL7860725

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(Cl)[C@@H](OC(=O)c3occc3CCO)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.73
LMNA P02545 5/20 0.73
NR3C1 P04150 5/20 0.73
ABCB11 O95342 4/20 0.73
PGR P06401 4/20 0.73
AR P10275 3/20 0.73
CYP2D6 P10635 2/20 0.73
CYP2C9 P11712 2/20 0.73
ADORA3 P0DMS8 2/20 0.73
PTGS1 P23219 2/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2C19 P33261 1/20 0.73
SLCO1B3 Q9NPD5 1/20 0.73
SLCO1B1 Q9Y6L6 1/20 0.73
USP2 O75604 4/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47

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
SCHEMBL4569 0.92 CYP3A4 (0.84) CYP3A4LMNANR3C1ABCB11PGR
Water SCHEMBL142488 0.91 CYP3A4 (0.83) CYP3A4LMNANR3C1ABCB11PGR
SCHEMBL6667323 0.89 CYP3A4 (0.82) CYP3A4LMNANR3C1ABCB11PGR
SCHEMBL3418164 0.89 CYP3A4 (0.68) CYP3A4LMNANR3C1ABCB11PGR
Propionic Acid SCHEMBL18787577 0.89 CYP3A4 (0.79) CYP3A4LMNANR3C1ABCB11PGR
SCHEMBL18787576 0.88 CYP3A4 (0.80) CYP3A4LMNANR3C1ABCB11PGR
SCHEMBL570138 0.88 CYP3A4 (0.80) CYP3A4LMNANR3C1ABCB11PGR
Furan SCHEMBL5473562 0.87 CYP3A4 (0.78) CYP3A4LMNANR3C1ABCB11PGR
SCHEMBL4444301 0.85 CYP3A4 (0.76) CYP3A4LMNANR3C1ABCB11PGR
Mometasone Furoate SCHEMBL25382496 0.85 CYP3A4 (1.00) CYP3A4LMNANR3C1ABCB11PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927037-B1 CHLOROFLUOROCARBON-FREE MOMETASONE FUROATE AEROSOL FORMULATIONS SCHERING CORP (US) 2001-07-11 EP disclosed
EP-0927037-A1 CHLOROFLUOROCARBON-FREE MOMETASONE FUROATE AEROSOL FORMULATIONS SCHERING CORPORATION (US) 1999-07-07 EP disclosed
WO-1998008519-A1 CHLOROFLUOROCARBON-FREE MOMETASONE FUROATE AEROSOL FORMULATIONS SCHERING CORPORATION (US) 1998-03-05 WO disclosed