SCHEMBL25819187

SCHEMBL25819187

CCOc1ccc(C(C)(C)c2ccc(OCOc3c4cc(S(=O)(=O)O)cc3Cc3cc(S(=O)(=O)O)cc(c3OC)Cc3cccc(c3OCC)Cc3cccc(c3OC)C4)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ PKM P14618 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALOX15 P16050 2/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ PTPRC P08575 2/20 0.33
▸ PTPN2 P17706 2/20 0.33
▸ PTPN1 P18031 2/20 0.33
▸ PTPRB P23467 2/20 0.33
▸ PTPN11 Q06124 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPK1 P28482 2/20 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
SCHEMBL25819182 0.87 MAPT (0.37) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL25819304 0.73 GAA (0.33) LMNAALDH1A1PKMSMN1; SMN2HPGD
SCHEMBL8958221 0.70 ING2 (0.59) ALDH1A1SMN1; SMN2MAPTKDM4EGAA
SCHEMBL25819326 0.65 ING2 (0.42) ALDH1A1PTPRCPTPN2PTPN1PTPRB
SCHEMBL8962018 0.64 NQO1 (0.56) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL25956024 0.64 NQO1 (0.56) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL3035998 0.64 NQO1 (0.67) ALDH1A1SMN1; SMN2HPGDMAPTMEN1
SCHEMBL18863517 0.64 ING2 (0.50) SMN1; SMN2PTPRCPTPN2PTPN1PTPRB
SCHEMBL13382488 0.63 LTA4H (0.46) LMNAALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL755720 0.63 CA12 (0.66) LMNAALDH1A1PKMSMN1; SMN2MAPT

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-20230220158-A1 IONOMERS WITH MACROCYCLIC MOIETIES FOR ION CONDUCTIVITY AND PERMSELECTIVITY NATIONAL SCIENCE FOUNDATION 2023-07-13 — — US disclosed
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