SCHEMBL28020549

SCHEMBL28020549

O=C(CC(=O)c1ccco1)OCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.57
FEN1 P39748 1/20 0.57
ALDH1A1 P00352 9/20 0.49
POLB P06746 4/20 0.49
HPGD P15428 3/20 0.49
ALOX15 P16050 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RECQL P46063 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.43
PTPN1 P18031 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL14053666 0.86 ERCC5 (0.50) ERCC5FEN1ALDH1A1POLBHPGD
SCHEMBL1126497 0.85 ERCC5 (0.56) ERCC5FEN1ALDH1A1POLBHPGD
SCHEMBL29054123 0.83 ERCC5 (0.54) ERCC5FEN1ALDH1A1POLBHPGD
SCHEMBL4459612 0.82 ERCC5 (0.61) ERCC5FEN1ALDH1A1POLBHPGD
SCHEMBL6320074 0.81 ERCC5 (0.74) ERCC5FEN1ALDH1A1POLBHPGD
SCHEMBL7070914 0.79 ERCC5 (0.71) ERCC5FEN1ALDH1A1POLBHPGD
SCHEMBL790857 0.78 KMT2A (0.60) ALDH1A1HPGDHSD17B10MAPTCES2
SCHEMBL5161664 0.77 ERCC5 (0.54) ERCC5FEN1ALDH1A1POLBHPGD
SCHEMBL5160673 0.77 NPC1 (0.57) ERCC5FEN1ALDH1A1POLBHPGD
SCHEMBL7124763 0.77 ERCC5 (0.62) ERCC5FEN1ALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104830528-B A kind of preparation method and application method of agalloch eaglewood fragrance 东莞波顿香料有限公司 2018-05-18 CN disclosed
CN-104830528-A Preparation method and use method of aquilaria wood perfume DONGGUAN BOTON FLAVORS & FRAGRANCES CO LTD 2015-08-12 CN disclosed