SCHEMBL12202889

SCHEMBL12202889

CC(C)(OC=O)Oc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.47
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ REN P00797 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.38
▸ CLK2 P49760 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ ROCK2 O75116 1/20 0.37

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
SCHEMBL12202883 0.86 MEN1 (0.47) FFAR1MEN1KMT2AMAPTGAA
SCHEMBL12228657 0.81 FFAR1 (0.57) FFAR1TSHRALDH1A1MEN1KMT2A
SCHEMBL12202885 0.81 HTT (0.47) FFAR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL12202894 0.79 PPARA (0.52) FFAR1MEN1KMT2AMAPTCYP3A4
SCHEMBL16302944 0.78 PPARA (0.49) FFAR1
SCHEMBL12202891 0.75 RXFP1 (0.51) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL16302945 0.74 PPARA (0.45) MEN1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL31395163 0.73 FFAR1 (0.58) FFAR1TSHRALDH1A1RENGAA
SCHEMBL12202890 0.71 L3MBTL1 (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11464615 0.71 FFAR1 (0.56) FFAR1TSHRALDH1A1RENKMT2A

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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