SCHEMBL11604262

SCHEMBL11604262

CC(C)CC1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
LMNA P02545 2/20 0.49
BLM P54132 2/20 0.49
HIF1A Q16665 1/20 0.49
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
GMNN O75496 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GRM2 Q14416 5/20 0.41
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35
PTGDR Q13258 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL11112682 0.87 MEN1 (0.52) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11113992 0.87 MEN1 (0.52) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11117547 0.85 GRM2 (0.56) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11213078 0.83 GRM2 (0.55) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11114148 0.83 GRM2 (0.55) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11116330 0.83 HSD17B10 (0.53) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11114354 0.83 KDM4E (0.43) HSD17B10MEN1KMT2ATSHRMAPK1
SCHEMBL11115126 0.82 CYP3A4 (0.50) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11602516 0.82 MEN1 (0.52) HSD17B10MEN1KMT2ATSHRCYP3A4
SCHEMBL11603610 0.82 HSD17B10 (0.54) HSD17B10MEN1KMT2ATSHRCYP3A4

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
US-4070539-A DIURETICS, SALURETICS MERCK & CO., INC. (US) 1978-01-24 US disclosed