SCHEMBL12430588

SCHEMBL12430588

C=CC(=O)OCOC(C)COc1ccc(C(C)(C)c2ccc(OCC(C)OCC(O)COC(=O)C=C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
HIF1A Q16665 1/20 0.44
AR P10275 2/20 0.40
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 5/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 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
SCHEMBL2601986 0.96 HTT (0.47) HTTHIF1AARALDH1A1KDM4E
SCHEMBL13310651 0.92 KMT2A (0.45) HTTHIF1AARALDH1A1KDM4E
SCHEMBL22056018 0.91 HTT (0.43) HTTHIF1AARALDH1A1KDM4E
SCHEMBL2605647 0.89 HTT (0.41) HTTHIF1AARALDH1A1KDM4E
SCHEMBL19765254 0.89 MEN1 (0.43) HTTHIF1AARALDH1A1KDM4E
SCHEMBL21725256 0.87 HTT (0.40) HTTHIF1AARALDH1A1KDM4E
SCHEMBL12430589 0.87 HTT (0.49) HTTHIF1AARALDH1A1KDM4E
SCHEMBL195095 0.86 HTT (0.53) HTTHIF1AARALDH1A1KDM4E
SCHEMBL11967037 0.86 HTT (0.53) HTTHIF1AARALDH1A1KDM4E
SCHEMBL14173204 0.86 HTT (0.53) HTTHIF1AARALDH1A1KDM4E

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-7977400-B2 polyimide, unsaturated polymerizable compound, photoinitiator; crosslinkable to form addition-condensation copolymer or polyetherimide copolymer; no imidation of polymer through high-temperature heat treatment; alkaline development; polyimide film having excellent heat resistance, strength, elongation TORAY INDUSTRIES, INC. (JP) 2011-07-12 US disclosed