SCHEMBL2516528

SCHEMBL2516528

Cc1ccc(CNc2ccc(OCC(C)C(=O)O)cc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 7/20 0.51
▸ MAPT P10636 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KCNH2 Q12809 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2514423 0.86 FFAR1 (0.53) FFAR1MAPTNPC1RAB9AL3MBTL1
SCHEMBL2517202 0.84 FFAR1 (0.55) FFAR1KCNH2
SCHEMBL2521089 0.84 FFAR1 (0.56) FFAR1MAPTRAB9AL3MBTL1MEN1
SCHEMBL2514671 0.84 FFAR1 (0.60) FFAR1MAPTNPC1LMNARAB9A
SCHEMBL2517711 0.83 PPARG (0.58) FFAR1MAPTL3MBTL1MEN1KMT2A
SCHEMBL2514000 0.82 FFAR1 (0.52) FFAR1MAPTRAB9AMEN1KMT2A
SCHEMBL2521232 0.82 PPARA (0.53) FFAR1MAPTNPC1LMNAMEN1
SCHEMBL2516937 0.81 FFAR1 (0.64) FFAR1MAPTTDP1MEN1KMT2A
SCHEMBL2520652 0.81 FFAR1 (0.55) FFAR1MEN1KMT2APPARGPPARA
SCHEMBL2521235 0.81 FFAR1 (0.55) FFAR1MAPTLMNAPPARAGAA

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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