SCHEMBL7530180

SCHEMBL7530180

O=C1CC(c2cc3c(c4ccccc24)C(=O)OC3=O)C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
HPGD P15428 3/20 0.35
ALDH2 P05091 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 7/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
THRB P10828 2/20 0.33
CTRC Q99895 1/20 0.33
USP2 O75604 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALOX15 P16050 1/20 0.32
TP53 P04637 2/20 0.32

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
SCHEMBL31088320 1.00 ALDH1A1 (0.35) ALDH1A1HPGDALDH2GAAHSD17B10
SCHEMBL29114736 0.85 ALDH1A1 (0.32) ALDH1A1HPGDALDH2GAAHSD17B10
SCHEMBL4255311 0.77 ALDH1A1 (0.39) ALDH1A1HPGDALDH2GAAHSD17B10
SCHEMBL12664899 0.74 CTRC (0.44) ALDH1A1HPGDALDH2GAAHSD17B10
SCHEMBL7527580 0.73 ALDH1A1 (0.35) ALDH1A1HPGDALDH2GAAHSD17B10
SCHEMBL28038028 0.72 MEN1 (0.36) ALDH1A1HPGDALDH2GAAHSD17B10
SCHEMBL12583810 0.72 ALDH1A1 (0.39) ALDH1A1HPGDALDH2MAPTMEN1
SCHEMBL7528131 0.72 MAPT (0.44) ALDH1A1HPGDALDH2HSD17B10MAPT
SCHEMBL8993620 0.71 SIRT2 (0.47) ALDH1A1HPGDALDH2HSD17B10MAPT
SCHEMBL7533164 0.71 PLA2G6 (0.56) ALDH1A1HPGDALDH2HSD17B10MAPT

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
EP-0725302-B1 A process of producing a polyimide block copolymer JAPAN SYNTHETIC RUBBER CO LTD (JP) 2002-04-03 EP disclosed