SCHEMBL4439166

SCHEMBL4439166

[CH2]C(O)(C(Br)C(C)(C)c1cc(Cl)cc2c1OCC2)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 12/20 0.42
NR3C2 P08235 11/20 0.42
PGR P06401 10/20 0.42
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HTR3A P46098 1/20 0.31

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
SCHEMBL4442637 0.72 NR3C1 (0.41) NR3C1NR3C2PGR
SCHEMBL14159634 0.70 NR3C1 (0.34) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL4823422 0.69 NR3C1 (0.52) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL1492612 0.68 NR3C1 (0.56) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL1723315 0.68 NR3C1 (0.56) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL4442883 0.68 NR3C1 (0.39) NR3C1NR3C2PGR
SCHEMBL1492536 0.68 NR3C1 (0.48) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL5776633 0.67 NR3C1 (0.43) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL5779656 0.65 NR3C1 (0.46) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL5355518 0.64 NR3C1 (0.43) NR3C1NR3C2PGRPTGS1PTGS2

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