SCHEMBL9015972

SCHEMBL9015972

CC(C(=O)O)n1c(=O)n(C)c(=O)n(-c2cc(Oc3c(F)cc(C(F)(F)F)cc3Cl)ccc2Br)c1=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.32
▸ PLA2G7 Q13093 3/20 0.31
▸ THRB P10828 3/20 0.31
▸ THRA P10827 2/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ NPBWR1 P48145 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL8321468 0.92 MAPK1 (0.33) PLA2G7THRBTHRATLR7NPBWR1
SCHEMBL9015950 0.84 PTGDR2 (0.40) FFAR1PLA2G7THRBTHRATLR7
SCHEMBL8318657 0.81 LMNA (0.35) PLA2G7THRBTLR7NPBWR1MCHR1
SCHEMBL8319192 0.80 BCAT2 (0.36) PLA2G7NPBWR1MCHR1
SCHEMBL8318409 0.73 LMNA (0.36) PLA2G7THRBTLR7NPBWR1MCHR1
SCHEMBL8321859 0.72 MEN1 (0.46) FFAR1THRBTHRATLR7
SCHEMBL8322789 0.72 MEN1 (0.41) PLA2G7THRBTHRAHIF1A
SCHEMBL8693861 0.70 FFAR1 (0.35) FFAR1THRBTHRATLR7NPBWR1
SCHEMBL8320672 0.70 MEN1 (0.39) FFAR1THRBTHRATLR7
SCHEMBL9332610 0.69 KMO (0.41) FFAR1THRBTLR7NPBWR1MCHR1

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-5519133-A CYCLIZATION, ALKYLATION AMERICAN CYANAMID CO. (US) 1996-05-21 — — US disclosed
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