SCHEMBL31474441

SCHEMBL31474441

CCOC(=O)c1c(C)oc2ccc(OCC(C)C)cc12

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
MAPK1 P28482 4/20 0.71
LMNA P02545 3/20 0.71
L3MBTL1 Q9Y468 6/20 0.68
MAPT P10636 3/20 0.68
KDM4E B2RXH2 3/20 0.68
TSHR P16473 3/20 0.68
POLB P06746 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
HIF1A Q16665 1/20 0.68
PTGS2 P35354 6/20 0.67
HTT P42858 1/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPK10 P53779 1/20 0.58
HPGD P15428 1/20 0.57
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
RAD52 P43351 1/20 0.54

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
SCHEMBL26676588 1.00 ALDH1A1 (0.71) ALDH1A1MAPK1LMNAL3MBTL1MAPT
SCHEMBL26676560 0.89 ALDH1A1 (0.69) ALDH1A1MAPK1LMNAL3MBTL1MAPT
SCHEMBL30664734 0.89 ALDH1A1 (0.69) ALDH1A1MAPK1LMNAL3MBTL1MAPT
SCHEMBL26676637 0.86 SLC26A4 (0.65) ALDH1A1MAPK1LMNAL3MBTL1MAPT
SCHEMBL28654740 0.83 PTGS2 (0.85) ALDH1A1MAPK1LMNAL3MBTL1MAPT
SCHEMBL26676662 0.83 ALDH1A1 (0.75) ALDH1A1MAPK1LMNAL3MBTL1MAPT
SCHEMBL26676557 0.82 ALDH1A1 (0.70) ALDH1A1MAPK1LMNAL3MBTL1MAPT
SCHEMBL30659906 0.81 L3MBTL1 (0.80) ALDH1A1MAPK1LMNAL3MBTL1MAPT
SCHEMBL16797443 0.81 ALDH1A1 (1.00) ALDH1A1MAPK1LMNAL3MBTL1MAPT
SCHEMBL30664710 0.81 L3MBTL1 (0.80) ALDH1A1MAPK1LMNAL3MBTL1MAPT

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-119403794-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-07 CN disclosed