SCHEMBL2515845

SCHEMBL2515845

CC(COc1ccc(NCc2ccccc2F)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.50
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MAPT P10636 4/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL2518714 0.85 RAB9A (0.54) MAOBMAPTL3MBTL1ALDH1A1TP53
SCHEMBL2517711 0.83 PPARG (0.58) MEN1KMT2AMAPTL3MBTL1TP53
SCHEMBL2521232 0.80 PPARA (0.53) MEN1KMT2AMAPTTP53GAA
SCHEMBL2516937 0.79 FFAR1 (0.64) MEN1KMT2AMAPTTP53GAA
SCHEMBL2521235 0.79 FFAR1 (0.55) MAOBMAPTKDM4EALDH1A1GAA
SCHEMBL2514423 0.76 FFAR1 (0.53) MEN1KMT2AMAPTL3MBTL1KDM4E
SCHEMBL2514671 0.76 FFAR1 (0.60) MEN1KMT2AMAPTL3MBTL1KDM4E
SCHEMBL2514000 0.75 FFAR1 (0.52) MEN1KMT2AMAPTTP53GAA
SCHEMBL31032939 0.75 LMNA (0.62) LMNAFFAR1CYP2D6
SCHEMBL15866588 0.75 LMNA (0.62) LMNAFFAR1CYP2D6

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-8034966-B1 Phenoxyisobutyric acid compounds and methods for synthesis Cell Viable Corporation (US) 2011-10-11 — — US disclosed
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