SCHEMBL2514000

SCHEMBL2514000

CC(COc1ccc(NCc2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.52
▸ EPHX2 P34913 1/20 0.51
▸ PPARA Q07869 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HDAC1 Q13547 1/20 0.49
▸ P2RX3 P56373 3/20 0.48
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PPARG P37231 2/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ ATM Q13315 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
SCHEMBL2514423 0.88 FFAR1 (0.53) FFAR1PPARAMAPTP2RX3MEN1
SCHEMBL2514671 0.88 FFAR1 (0.60) FFAR1PPARAMAPTHDAC1MEN1
SCHEMBL2517711 0.88 PPARG (0.58) FFAR1PPARAMAPTMEN1KMT2A
SCHEMBL2521232 0.87 PPARA (0.53) FFAR1PPARAMAPTMEN1KMT2A
SCHEMBL2517202 0.86 FFAR1 (0.55) FFAR1
SCHEMBL2516937 0.86 FFAR1 (0.64) FFAR1PPARAMAPTMEN1KMT2A
SCHEMBL2520652 0.85 FFAR1 (0.55) FFAR1PPARAMEN1KMT2APPARG
SCHEMBL1305299 0.85 PPARA (0.58) PPARAP2RX3MEN1KMT2ACYP1A2
SCHEMBL28619870 0.85 PPARA (0.58) PPARAP2RX3MEN1KMT2ACYP1A2
SCHEMBL21895800 0.85 PPARA (0.58) PPARAP2RX3MEN1KMT2ACYP1A2

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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