SCHEMBL29617167

SCHEMBL29617167

O=C(O)c1cc2c(cc1C(=O)O)C(C(F)(F)F)(C(F)(F)F)c1cc(C(=O)O)c(C(=O)O)cc1O2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 1/20 0.34
PDK2 Q15119 3/20 0.33
ALOX5 P09917 1/20 0.32
NOTUM Q6P988 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C9 P11712 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL715286 1.00 ASPH (0.34) ASPHPDK2ALOX5NOTUMKDM4E
SCHEMBL29405016 1.00 ASPH (0.34) ASPHPDK2ALOX5NOTUMKDM4E
SCHEMBL9455649 0.97 KMT2A (0.34) ASPHPDK2ALOX5NOTUMKDM4E
SCHEMBL28922371 0.84 PDK2 (0.30) PDK2
SCHEMBL3471311 0.83 NOTUM (0.33) ASPHALOX5NOTUMKDM4EALDH1A1
SCHEMBL1099586 0.78 PDK2 (0.38) PDK2ALOX5NOTUMKDM4EALDH1A1
SCHEMBL29415487 0.77 PDK2 (0.42) PDK2KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL9221863 0.77 PDK2 (0.37) PDK2ALOX5NOTUMKDM4EALDH1A1
SCHEMBL3272491 0.76 ALOX5 (0.34) ALOX5KDM4EALDH1A1RXRARXRB
SCHEMBL9220858 0.76 PDK2 (0.36) PDK2ALOX5NOTUMKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669336-B Modified fluorine-containing polyimide resin composition and preparation method thereof 中山市鸿盛新材料有限公司 2022-06-17 CN claimed
CN-111876085-B Composite bonding sheet, flexible metal laminated board and preparation method thereof 东莞东阳光科研发有限公司 2022-09-27 CN disclosed
CN-110669336-B Modified fluorine-containing polyimide resin composition and preparation method thereof 中山市鸿盛新材料有限公司 2022-06-17 CN disclosed