SCHEMBL7672142

SCHEMBL7672142

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
EGLN1 Q9GZT9 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
CYP2D6 P10635 2/20 0.35
PIN1 Q13526 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9794612 0.89 TDP1 (0.48) TDP1EGLN1ALDH1A1MEN1NPC1
SCHEMBL19323989 0.89 TDP1 (0.48) TDP1EGLN1ALDH1A1MEN1NPC1
SCHEMBL9295748 0.85 TDP1 (0.41) TDP1EGLN1ALDH1A1MEN1NPC1
SCHEMBL9295744 0.85 TDP1 (0.41) TDP1EGLN1ALDH1A1MEN1NPC1
SCHEMBL29055376 0.83 ALDH1A1 (0.39) TDP1EGLN1ALDH1A1MEN1NPC1
SCHEMBL2454280 0.83 MGAM (0.46) TDP1ALDH1A1KMT2AHSD17B10LMNA
SCHEMBL6599659 0.83 ALDH1A1 (0.42) TDP1ALDH1A1MEN1NPC1KMT2A
SCHEMBL28088679 0.83 TDP1 (0.42) TDP1EGLN1ALDH1A1MEN1NPC1
SCHEMBL6668703 0.81 TDP1 (0.41) TDP1EGLN1ALDH1A1MEN1NPC1
SCHEMBL6251850 0.81 MGAM (0.44) TDP1EGLN1ALDH1A1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103980108-B Preparation method of 2- (1-methyl alkyl) succinic acid EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-09-23 CN disclosed
CN-103980108-A Preparation method of 2- (1-methyl alkyl) succinic acid UNIV EAST CHINA SCIENCE & TECH 2014-08-13 CN disclosed
US-6462042-B1 TUMOR NECROSIS FACTOR ALPHA CONVERTING ENZYME INHIBITORS; INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, CANCER, CARDIO-VASCULAR DISEASES, RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, NEURODEGENERATION, ALZHEIMER'S DISEASE, STROKE DARWIN DISCOVERY LIMITED (GB) 2002-10-08 US disclosed
US-4329473-A HYPOTENSIVE AGENTS SRI INTERNATIONAL 1982-05-11 US disclosed