SCHEMBL7122861

SCHEMBL7122861

CCc1ccc(Nc2c(F)cc(F)cc2Cl)c(C(CC(=O)O)C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NR1I3 Q14994 1/20 0.39
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ GAA P10253 1/20 0.35
▸ CTSA P10619 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ MAP2K2 P36507 1/20 0.34
▸ MAP2K1 Q02750 1/20 0.34
▸ FFAR1 O14842 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CXCL8 P10145 1/20 0.33

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
SCHEMBL7128763 0.92 PTGS2 (0.42) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL7129516 0.88 PTGS2 (0.53) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL7122505 0.87 PTGS2 (0.50) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL7132244 0.84 MAP2K2 (0.36) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL7126502 0.84 PTGS2 (0.49) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL7122503 0.80 PTGS2 (0.54) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL1032030 0.79 PTGS2 (0.56) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL7132137 0.79 PTGS2 (0.55) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL7131340 0.74 PTGS2 (0.67) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL6036157 0.73 USP2 (0.49) PTGS2ABCB11PTGS1PPARGNR1I3

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
EP-1007505-B1 CERTAIN 5-ALKYL-2-ARYLAMINOPHENYLACETIC ACIDS AND DERIVATIVES NOVARTIS AG (CH) 2003-04-16 — — EP claimed
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