SCHEMBL29186136

SCHEMBL29186136

CCCOC(=O)c1ccc(C)o1.CCCOC(=O)c1ccc(CO)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 8/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TLR2 O60603 1/20 0.44
NSD2 O96028 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MPI P34949 1/20 0.44
GRK6 P43250 1/20 0.44
RECQL P46063 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
HPGD P15428 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL21331934 0.93 TDP1 (0.53) TDP1ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL21594660 0.89 ALDH1A1 (0.50) TDP1ALDH1A1L3MBTL1POLBHPGD
SCHEMBL6240522 0.83 ALDH1A1 (0.59) TDP1ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL17274259 0.81 TDP1 (0.52) TDP1ALDH1A1L3MBTL1POLBHPGD
SCHEMBL15308930 0.80 TSHR (0.53) TDP1ALDH1A1L3MBTL1POLBHPGD
SCHEMBL17274256 0.80 TDP1 (0.49) TDP1ALDH1A1L3MBTL1POLBHPGD
SCHEMBL446918 0.79 ALDH1A1 (0.57) TDP1ALDH1A1MAPTKDM4EL3MBTL1
Ethylene SCHEMBL17274280 0.78 RAB9A (0.51) TDP1ALDH1A1L3MBTL1POLBHPGD
SCHEMBL28655961 0.78 HDAC4 (0.63) TDP1ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL28338311 0.78 TDP1 (0.58) TDP1ALDH1A1MAPTL3MBTL1POLB

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-112638888-B Oxidation process for the production of 5- (alkoxycarbonyl) furan-2-carboxylic Acid (ACFC) 伊士曼化工公司 2024-04-02 CN claimed