SCHEMBL822683

SCHEMBL822683

CCCCCCOc1ccc(C2(c3ccc(C)c(C(C)=O)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 5/20 0.38
▸ CYSLTR2 Q9NS75 1/20 0.37
▸ CYSLTR1 Q9Y271 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ PTPN6 P29350 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADRA2A P08913 1/20 0.34

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
SCHEMBL812044 0.94 PTPN11 (0.42) PTPN11CYSLTR2CYSLTR1S1PR3PTPN1
SCHEMBL12924831 0.91 PTPN11 (0.38) PTPN11CYSLTR2CYSLTR1S1PR3PTPN1
SCHEMBL10299949 0.88 PTPN11 (0.40) PTPN11CYSLTR2CYSLTR1S1PR3PTPN1
SCHEMBL12924865 0.86 PTPN11 (0.41) PTPN11S1PR3PTPN1PTPN6LMNA
SCHEMBL12924858 0.84 LPL (0.33) PTPN11S1PR3PTPN1PTPN6LMNA
SCHEMBL12924854 0.84 LMNA (0.43) PTPN11S1PR3PTPN1PTPN6LMNA
SCHEMBL13400867 0.84 PTPN11 (0.41) PTPN11S1PR3PTPN1PTPN6LMNA
SCHEMBL13494970 0.84 PTPN11 (0.41) PTPN11S1PR3PTPN1PTPN6LMNA
SCHEMBL13429583 0.83 MAPT (0.42) PTPN11CYSLTR2CYSLTR1S1PR3PTPN1
SCHEMBL12924833 0.82 L3MBTL1 (0.37) PTPN11S1PR3PTPN1PTPN6LMNA

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-20120010359-A1 SALICYLATE SUBSTITUTED CONJUGATED POLYMERS AND DEVICES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 — — US disclosed
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