SCHEMBL30569372

SCHEMBL30569372

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.63
ALDH1A1 P00352 4/20 0.60
LMNA P02545 3/20 0.60
MAPK1 P28482 3/20 0.60
MAPT P10636 4/20 0.58
L3MBTL1 Q9Y468 4/20 0.58
POLB P06746 3/20 0.58
TSHR P16473 3/20 0.58
KDM4E B2RXH2 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
HIF1A Q16665 1/20 0.58
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 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
SCHEMBL24470970 1.00 PTGS2 (0.63) PTGS2ALDH1A1LMNAMAPK1MAPT
SCHEMBL29630290 0.88 PTGS2 (0.62) PTGS2ALDH1A1LMNAMAPK1MAPT
SCHEMBL24470975 0.88 PTGS2 (0.62) PTGS2ALDH1A1LMNAMAPK1MAPT
SCHEMBL31604935 0.86 PTGS2 (0.60) PTGS2ALDH1A1LMNAMAPK1MAPT
SCHEMBL31604829 0.84 PTGS2 (0.67) PTGS2ALDH1A1LMNAMAPK1MAPT
SCHEMBL31604805 0.84 PTGS2 (0.58) PTGS2ALDH1A1LMNAMAPK1MAPT
SCHEMBL18516741 0.84 PTGS2 (0.76) PTGS2ALDH1A1LMNAMAPK1MAPT
SCHEMBL31604966 0.83 PTGS2 (0.57) PTGS2ALDH1A1LMNAMAPK1MAPT
SCHEMBL24470667 0.83 MEN1 (0.71) PTGS2ALDH1A1LMNAMAPK1MAPT
SCHEMBL29630155 0.83 MEN1 (0.71) PTGS2ALDH1A1LMNAMAPK1MAPT

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-116761796-A Aryl derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2023-09-15 CN disclosed