SCHEMBL31384696

SCHEMBL31384696

CCOC=C(OCc1ccccc1)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.49
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
HCAR2 Q8TDS4 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL9502712 0.84 ALDH1A1 (0.51) NR1H4ALDH1A1KMT2AMEN1HCAR2
SCHEMBL9502710 0.84 ALDH1A1 (0.51) NR1H4ALDH1A1KMT2AMEN1HCAR2
SCHEMBL31514418 0.83 ALDH1A1 (0.50) NR1H4ALDH1A1KMT2AMEN1HCAR2
SCHEMBL31384648 0.83 ALDH1A1 (0.50) NR1H4ALDH1A1KMT2AMEN1HCAR2
SCHEMBL9335100 0.82 NR1H4 (0.49) NR1H4ALDH1A1KMT2AMEN1HCAR2
SCHEMBL13924823 0.82 NR1H4 (0.49) NR1H4ALDH1A1KMT2AMEN1HCAR2
SCHEMBL11644268 0.81 ALDH1A1 (0.56) NR1H4ALDH1A1KMT2AMEN1HCAR2
SCHEMBL10532069 0.81 ALDH1A1 (0.51) NR1H4ALDH1A1KMT2AMEN1HCAR2
SCHEMBL23635342 0.81 NR1H4 (0.48) NR1H4ALDH1A1KMT2AMEN1HCAR2
SCHEMBL1371274 0.80 ALDH1A1 (0.62) NR1H4ALDH1A1KMT2AMEN1HCAR2

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-119528909-A Bisheterocyclic derivative for inhibiting WRN helicase, pharmaceutical composition containing bisheterocyclic derivative and application of bisheterocyclic derivative 上海科恩泰生物医药科技有限公司 2025-02-28 CN disclosed