SCHEMBL23827481

SCHEMBL23827481

CCCCCCCCCCc1cc(C(=O)OCC)c(N)s1.CCOC(=O)c1cc(CCc2ccccc2)sc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 7/20 0.54
ALDH1A1 P00352 7/20 0.54
ALOX15 P16050 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
HSD17B10 Q99714 4/20 0.54
RAB9A P51151 4/20 0.54
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 4/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
GRM6 O15303 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 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
SCHEMBL3113232 0.92 GAA (0.66) GAAMAPK1MAPTALDH1A1ALOX15
SCHEMBL15277871 0.89 GAA (0.69) GAAMAPK1MAPTALDH1A1ALOX15
SCHEMBL1976156 0.89 GAA (0.69) GAAMAPK1MAPTALDH1A1ALOX15
SCHEMBL1976632 0.89 GAA (0.69) GAAMAPK1MAPTALDH1A1ALOX15
SCHEMBL3107873 0.89 GAA (0.69) GAAMAPK1MAPTALDH1A1ALOX15
SCHEMBL3113240 0.89 GAA (0.69) GAAMAPK1MAPTALDH1A1ALOX15
SCHEMBL3113249 0.88 GAA (0.71) GAAMAPK1MAPTALDH1A1ALOX15
SCHEMBL3095198 0.83 GAA (0.55) GAAMAPK1MAPTALDH1A1ALOX15
SCHEMBL1973534 0.82 GAA (0.56) GAAMAPK1MAPTALDH1A1ALOX15
SCHEMBL16689448 0.81 GAA (0.64) GAAMAPK1MAPTALDH1A1ALOX15

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-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 EP claimed