SCHEMBL29123735

SCHEMBL29123735

CCC(CO)(CO)CO.CCC(CO)(CO)CO.O=Cc1cccc(O)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 4/20 0.65
▸ IAPP P10997 5/20 0.46
▸ TRIM24 O15164 1/20 0.44
▸ TRIM33 Q9UPN9 1/20 0.44
▸ TLR2 O60603 1/20 0.44
▸ TLR1 Q15399 1/20 0.44
▸ TLR6 Q9Y2C9 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ POLB P06746 4/20 0.41
▸ GAA P10253 3/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NOX4 Q9NPH5 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALOX15 P16050 2/20 0.36

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
Salicyladehyde SCHEMBL28661076 0.87 TRIM24 (0.62) ERN1TRIM24TRIM33TLR2TLR1
Ortho-Phthalaldehyde SCHEMBL29080278 0.83 LMNA (0.52) ERN1TRIM24TRIM33TLR2TLR1
SCHEMBL29407137 0.80 ERN1 (1.00) ERN1IAPPTRIM24TRIM33TLR2
SCHEMBL36440 0.80 ERN1 (1.00) ERN1IAPPTRIM24TRIM33TLR2
SCHEMBL26908601 0.80 ERN1 (0.36) ERN1TRIM24TRIM33TLR2TLR1
SCHEMBL26908591 0.77 CA1 (0.56) ERN1TRIM24TRIM33TLR2TLR1
Formaldehyde SCHEMBL28931082 0.77 ERN1 (0.91) ERN1IAPPTRIM24TRIM33TLR2
SCHEMBL29080246 0.76 ALDH1A1 (0.43) ERN1TRIM24TRIM33TLR2TLR1
SCHEMBL29080258 0.75 LMNA (0.34) ERN1TRIM24TRIM33TLR2TLR1
SCHEMBL26908577 0.74 KCNJ1 (0.34) ERN1TRIM24TRIM33ALDH1A1TDP1

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
CN-115433334-B Main chain type benzoxazine resin with bis (trimethylol) propane acetal structure 北京化工大学 2023-12-15 — — CN disclosed
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