SCHEMBL6743641

SCHEMBL6743641

FC(F)(F)c1cc(COc2cc[c]cc2)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
MAOB P27338 10/20 0.49
NR4A2 P43354 1/20 0.44
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
PLAT P00750 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
TACR1 P25103 1/20 0.41

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
Bromide SCHEMBL28540140 0.85 MAOB (0.58) IDO1MAOBNR4A2PPARDPPARA
SCHEMBL3321627 0.85 MAOB (0.68) IDO1MAOBNR4A2MRGPRX4FFAR1
SCHEMBL697164 0.84 MAOB (0.65) IDO1MAOBMRGPRX4FFAR1
SCHEMBL12424195 0.81 MAOB (0.54) IDO1MAOBNR4A2
SCHEMBL12584946 0.79 MAOB (0.53) IDO1MAOBNR4A2PPARDPPARA
SCHEMBL13960103 0.78 MAOB (0.54) IDO1MAOBNR4A2FFAR1FFAR4
SCHEMBL863820 0.77 GSK3B (0.49) IDO1MAOBNR4A2
SCHEMBL6690271 0.76 RAB9A (0.54) IDO1MAOBNR4A2PPARDPPARA
SCHEMBL21944825 0.75 IDO1 (0.53) IDO1MAOBNR4A2PPARDPPARA
SCHEMBL697659 0.74 FFAR1 (0.50) MAOBFFAR1

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
US-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed