SCHEMBL4442883

SCHEMBL4442883

[CH2]C(O)(C(Cl)C(C)(C)c1cc(-c2cccnc2)cc2c1OCC2)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.39
NR3C2 P08235 8/20 0.39
PGR P06401 7/20 0.39
CYP1A2 P05177 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ERN1 O75460 1/20 0.35
CYP11B2 P19099 5/20 0.34
PDE4B Q07343 2/20 0.34
CYP11B1 P15538 4/20 0.33
PIK3CA P42336 1/20 0.33
CYP19A1 P11511 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL14159634 0.84 NR3C1 (0.34) NR3C1NR3C2PGR
SCHEMBL4167085 0.74 CYP1A2 (0.42) NR3C1NR3C2PGRCYP1A2HTR2A
SCHEMBL4150281 0.72 PDE4B (0.38) NR3C1NR3C2PGRCYP1A2HTR2A
SCHEMBL6384571 0.69 NR3C1 (0.52) NR3C1NR3C2PGR
SCHEMBL292631 0.68 NR3C1 (0.49) NR3C1NR3C2PGRCYP1A2HTR2A
SCHEMBL4439166 0.68 NR3C1 (0.42) NR3C1NR3C2PGR
SCHEMBL6382647 0.67 NR3C1 (0.46) NR3C1NR3C2PGRCYP1A2HTR2A
SCHEMBL6383344 0.67 NR3C1 (0.63) NR3C1NR3C2PGR
SCHEMBL7082910 0.62 PDE4B (0.48) CYP1A2HTR2AHTR2CHTR2BCYP11B2
SCHEMBL3656890 0.62 NR3C1 (0.62) NR3C1NR3C2PGRERN1CYP11B2

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
WO-2012170175-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN BAUSCH & LOMB INCORPORATED (US) 2012-12-13 WO disclosed
EP-2061444-A2 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY Bausch & Lomb Incorporated (US) 2009-05-27 EP disclosed
WO-2008033655-A2 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY BAUSCH & LOMB INCORPORATED (US) 2008-03-20 WO disclosed