SCHEMBL12807626

SCHEMBL12807626

CCC(C)Oc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C(C)C)cc4)cc3)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.38
▸ CASP1 P29466 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ PTPN5 P54829 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ S1PR1 P21453 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CNR1 P21554 3/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12807624 0.81 MAPT (0.34) CNR2CASP1MAPTKDM4EALDH1A1
SCHEMBL9915246 0.78 FFAR1 (0.42) CNR2CASP1MAPTKDM4EALDH1A1
SCHEMBL13181464 0.77 MAPT (0.34) CASP1MAPTKDM4EALDH1A1POLB
SCHEMBL9915245 0.76 LMNA (0.46) CNR2MAPTKDM4EALDH1A1POLB
SCHEMBL13297341 0.76 CNR2 (0.34) CNR2CASP1L3MBTL1S1PR1CNR1
SCHEMBL13297339 0.75 ACACB (0.40) CNR2CASP1MAPTALDH1A1CTDSP1
SCHEMBL12094537 0.75 MAPT (0.50) MAPTKDM4EALDH1A1POLBL3MBTL1
SCHEMBL10138722 0.74 SMN1; SMN2 (0.47) MAPTKDM4EALDH1A1POLBL3MBTL1
SCHEMBL12808083 0.73 PKM (0.46) KDM4EALDH1A1POLBLMNAGAA
SCHEMBL20370948 0.73 PKM (0.46) MAPTKDM4EALDH1A1L3MBTL1GAA

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-20110081597-A1 POLYMER ELECTROLYTE, CROSSLINKED POLYMER ELECTROLYTE, POLYMER ELECTROLYTE MEMBRANE AND USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-07 — — US disclosed
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