SCHEMBL28044209

SCHEMBL28044209

CC(C)(C)C(=O)OCC(=O)c1ccco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
POLB P06746 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 3/20 0.52
NPC1 O15118 1/20 0.49
HPGD P15428 3/20 0.48
APOBEC3A P31941 1/20 0.48
ESR2 Q92731 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
GLA P06280 1/20 0.47
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
ALOX15 P16050 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 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
SCHEMBL132742 0.81 ALDH1A1 (0.56) ALDH1A1POLBTDP1L3MBTL1MAPT
SCHEMBL28015234 0.80 ALDH1A1 (0.49) ALDH1A1POLBTDP1L3MBTL1MAPT
SCHEMBL4136317 0.79 ALDH1A1 (0.61) ALDH1A1POLBTDP1L3MBTL1MAPT
SCHEMBL527184 0.78 CES2 (0.57) ALDH1A1POLBTDP1L3MBTL1MAPT
SCHEMBL1916527 0.77 ALDH1A1 (0.62) ALDH1A1POLBTDP1L3MBTL1MAPT
SCHEMBL28074980 0.77 ALDH1A1 (0.65) ALDH1A1POLBTDP1L3MBTL1MAPT
SCHEMBL28318931 0.75 ALDH1A1 (0.57) ALDH1A1POLBTDP1L3MBTL1MAPT
SCHEMBL527564 0.75 ALDH1A1 (0.50) ALDH1A1POLBTDP1L3MBTL1MAPT
SCHEMBL27621634 0.74 ALDH1A1 (0.52) ALDH1A1POLBTDP1L3MBTL1MAPT
SCHEMBL22288123 0.74 ALDH1A1 (0.53) ALDH1A1POLBTDP1L3MBTL1MAPT

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-105143211-A Catalytic synthesis of reduced furan derivatives ARCHER DANIELS MIDLAND CO 2015-12-09 CN disclosed