SCHEMBL14252000

SCHEMBL14252000

CCCCOC(=O)N(CCC(C)C)Cc1ccc(Oc2ccc3c(c2)OC(C)(C)OC3=O)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.41
LPAR5 Q9H1C0 10/20 0.41
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MITF O75030 1/20 0.32
HTT P42858 1/20 0.32
CXCR3 P49682 3/20 0.32
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
NR1H3 Q13133 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL14252003 0.91 LPAR1 (0.35) LPAR1LPAR5
SCHEMBL14252009 0.88 LPAR1 (0.41) LPAR1LPAR5CHRM5CHRM1CHRM3
SCHEMBL4355002 0.88 LPAR1 (0.42) LPAR1LPAR5ALDH1A1KDM4EMITF
SCHEMBL13632815 0.85 LPAR1 (0.40) LPAR1LPAR5ALDH1A1KDM4EMITF
SCHEMBL13633128 0.79 LPAR1 (0.42) LPAR1LPAR5ALDH1A1KDM4EMITF
SCHEMBL4366116 0.78 LPAR1 (0.36) LPAR1LPAR5
SCHEMBL4015362 0.76 LPAR1 (0.43) LPAR1LPAR5
SCHEMBL13632805 0.75 LPAR1 (0.34) LPAR1LPAR5
SCHEMBL4020149 0.75 CARM1 (0.41) ALDH1A1KDM4ES1PR1S1PR3MAPT
SCHEMBL13638403 0.74 LPAR1 (0.40) LPAR1LPAR5ALDH1A1KDM4EMITF

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
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed