SCHEMBL27543712

SCHEMBL27543712

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
FOLH1 Q04609 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.39
LMNA P02545 2/20 0.38
SLC15A2 Q16348 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MME P08473 2/20 0.36
MAPT P10636 1/20 0.34
CPA1 P15085 2/20 0.34
ALOX15 P16050 1/20 0.34
CPB1 P15086 1/20 0.34
CPA3 P15088 1/20 0.34
CPB2 Q96IY4 1/20 0.34
GABRR1 P24046 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
SCHEMBL6744485 0.92 FOLH1 (0.46) TDP1FOLH1SLC22A6LMNASMN1; SMN2
SCHEMBL2439880 0.89 ALDH1A1 (0.53) TDP1ALDH1A1LMNASLC15A2
SCHEMBL6652778 0.84 FOLH1 (0.52) TDP1ALDH1A1FOLH1SLC22A6LMNA
SCHEMBL6844224 0.79 USP2 (0.42) TDP1FOLH1SLC22A6LMNASMN1; SMN2
SCHEMBL9270192 0.79 MME (0.44) TDP1FOLH1SLC22A6LMNASMN1; SMN2
SCHEMBL22472016 0.77 USP2 (0.41) TDP1FOLH1SLC22A6LMNASMN1; SMN2
SCHEMBL22472002 0.77 USP2 (0.41) TDP1FOLH1SLC22A6LMNASMN1; SMN2
SCHEMBL11305374 0.77 KMT2A (0.47) TDP1ALDH1A1FOLH1SLC22A6SMN1; SMN2
SCHEMBL8679924 0.76 ALDH1A1 (0.46) TDP1ALDH1A1
SCHEMBL14725173 0.76 ALDH1A1 (0.46) TDP1ALDH1A1

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-1251098-A Pyrrole compounds, their prodn. and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-19 CN disclosed