SCHEMBL29630220

SCHEMBL29630220

CCOC(=O)c1c(C)oc2ccc(OCc3scnc3C)c(F)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 4/20 0.42
MAPT P10636 4/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PTGS2 P35354 6/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29095791 1.00 LMNA (0.43) LMNAL3MBTL1MAPK1KDM4EHTT
SCHEMBL29630239 0.89 LMNA (0.42) LMNAL3MBTL1MAPK1KDM4EHTT
SCHEMBL24484900 0.89 LMNA (0.42) LMNAL3MBTL1MAPK1KDM4EHTT
SCHEMBL29630214 0.85 TSHR (0.40) LMNAL3MBTL1MAPK1KDM4ETSHR
SCHEMBL29096004 0.85 TSHR (0.40) LMNAL3MBTL1MAPK1KDM4ETSHR
SCHEMBL29095709 0.82 TSHR (0.49) LMNAL3MBTL1MAPK1KDM4EHTT
SCHEMBL30569429 0.80 CASP3 (0.50) LMNAL3MBTL1MAPK1KDM4EHTT
SCHEMBL24470885 0.80 CASP3 (0.50) LMNAL3MBTL1MAPK1KDM4EHTT
SCHEMBL24484858 0.80 GABRA1 (0.32) LMNAHTT
SCHEMBL29629758 0.80 GABRA1 (0.32) LMNAHTT

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-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed