SCHEMBL8000398

SCHEMBL8000398

O=C(O)C(C=CC(C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 2/20 0.35
ABCB11 O95342 1/20 0.35
F2 P00734 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C19 P33261 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35

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
SCHEMBL6855084 0.84 TP53 (0.40) ALDH1A1TP53
SCHEMBL16673754 0.79 TP53 (0.35) ALDH1A1TSHRLMNATHRBRECQL
SCHEMBL2051254 0.79 TP53 (0.35) ALDH1A1TSHRLMNATHRBRECQL
SCHEMBL11218751 0.79 GABRP (0.48) ALDH1A1TSHRLMNATDP1TP53
SCHEMBL2051255 0.79 TP53 (0.35) ALDH1A1TSHRLMNATHRBRECQL
SCHEMBL8582551 0.73 GRIK1 (0.39) ALDH1A1LMNARECQLHPGDHSD17B10
SCHEMBL2917236 0.73 GRIK1 (0.39) ALDH1A1LMNARECQLHPGDHSD17B10
SCHEMBL28072278 0.73 ALDH1A1 (0.55) ALDH1A1TDP1ALOX15
SCHEMBL18168718 0.73 GRIK1 (0.35) ALDH1A1TP53
SCHEMBL4031782 0.72

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-104240956-A Working electrolyte for ultrahigh-voltage aluminium electrolytic capacitor and manufacturing method thereof SHANGHAI HONGWEI ELECTRONIC TECHNOLOGY CO LTD 2014-12-24 CN disclosed
US-6288038-B1 ACCELERATE APOLIPOPROTEIN E PRODUCTION; NERVOUS SYSTEM DISORDERS, ALZHEIMER*S DISEASE; ANTILIPEMIC AGENTS NISSHIN SEIFUN GROUP INC. (JP) 2001-09-11 US disclosed