SCHEMBL9780647

SCHEMBL9780647

CCCCCCCCCCCCCCCCCCNc1ccccc1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
PTGS2 P35354 3/20 0.49
NAAA Q02083 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CXCL8 P10145 3/20 0.48
EPHX1 P07099 3/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
CNR2 P34972 2/20 0.46
CDC25A P30304 1/20 0.46
NR1H4 Q96RI1 2/20 0.46
AKR1B10 O60218 1/20 0.46
UGT1A9 O60656 1/20 0.46
TRPA1 O75762 1/20 0.46
ABCB11 O95342 1/20 0.46
MT-CO2 P00403 1/20 0.46
TTR P02766 1/20 0.46
ALB P02768 1/20 0.46
UGT1A6 P19224 1/20 0.46

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
SCHEMBL168558 0.98 CYSLTR2 (0.51) CYSLTR2CYSLTR1PTGS2NAAAL3MBTL1
SCHEMBL4730302 0.94 PTGS2 (0.51) CYSLTR2CYSLTR1PTGS2CXCL8HTT
SCHEMBL11072831 0.92 SOAT2 (0.49) CYSLTR2CYSLTR1CNR2
SCHEMBL11072836 0.92 SOAT2 (0.49) CYSLTR2CYSLTR1CNR2
SCHEMBL11069327 0.89 SOAT2 (0.49) CYSLTR2CYSLTR1ALDH1A1CNR2PTGS1
SCHEMBL11065929 0.89 SOAT2 (0.49) CYSLTR2CYSLTR1ALDH1A1CNR2PTGS1
SCHEMBL11069324 0.89 SOAT2 (0.49) CYSLTR2CYSLTR1ALDH1A1CNR2PTGS1
SCHEMBL11065936 0.89 SOAT2 (0.49) CYSLTR2CYSLTR1ALDH1A1CNR2PTGS1
SCHEMBL11069348 0.86 CYP2C9 (0.46) CYSLTR2CYSLTR1PTGS2CXCL8NR1H4
SCHEMBL11635283 0.85 POLB (0.46) CYSLTR2CYSLTR1NAAAL3MBTL1EPHX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3258754-A None JP disclosed
JP-H03258754-A FORMING MATERIAL OF LANGMUIR BLODGETT MEMBRANE AND ORGANIC NONLINEAR OPTICAL THIN FILM ELEMENT USING SAME MATERIAL OKI ELECTRIC IND CO LTD 1991-11-19 JP disclosed