SCHEMBL24470976

SCHEMBL24470976

CCOC(=O)c1c(C)oc2ccc(OCc3ccccc3)c(C)c12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.50
F2 P00734 3/20 0.49
PTGS2 P35354 4/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
EDNRA P25101 1/20 0.49
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL30569373 1.00 L3MBTL1 (0.51) L3MBTL1POLBF2PTGS2CASP3
SCHEMBL29713159 0.88 TSHR (0.53) L3MBTL1POLBF2PTGS2CASP3
SCHEMBL30569429 0.88 CASP3 (0.50) L3MBTL1POLBF2PTGS2CASP3
SCHEMBL24470885 0.88 CASP3 (0.50) L3MBTL1POLBF2PTGS2CASP3
SCHEMBL24470978 0.88 TSHR (0.53) L3MBTL1POLBF2PTGS2CASP3
SCHEMBL24470977 0.88 EDNRA (0.56) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL30569414 0.88 EDNRA (0.56) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL24470679 0.85 ALOX15 (0.51) L3MBTL1POLBF2PTGS2CASP3
SCHEMBL29630204 0.85 ALOX15 (0.51) L3MBTL1POLBF2PTGS2CASP3
SCHEMBL24485742 0.79 PTGS2 (0.45) POLBPTGS2TSHRMAPT

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
WO-2022112345-A1 ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed