SCHEMBL6983038

SCHEMBL6983038

CCOC(=O)C1OCC(c2ccccc2)(c2ccccc2)CO1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
OPRM1 P35372 5/20 0.43
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
SLC22A1 O15245 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6981034 0.77 L3MBTL1 (0.43) L3MBTL1ALDH1A1HTTMEN1KMT2A
SCHEMBL6984021 0.76 L3MBTL1 (0.50) L3MBTL1TSHRALDH1A1KMT2ACYP1A2
SCHEMBL9708891 0.74 PPM1B (0.40) L3MBTL1TSHRALDH1A1MEN1KMT2A
SCHEMBL6978140 0.73 OPRM1 (0.49) L3MBTL1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL10795196 0.73 TSHR (0.56) L3MBTL1TSHRALDH1A1HTTMEN1
SCHEMBL6982854 0.72 L3MBTL1 (0.44) L3MBTL1TSHRALDH1A1OPRM1OPRD1
SCHEMBL6081939 0.71 LMNA (0.51) L3MBTL1TSHRALDH1A1HTTMEN1
SCHEMBL1069512 0.71 TSHR (0.50) L3MBTL1TSHRALDH1A1HTTMEN1
SCHEMBL14968000 0.71 TSHR (0.50) L3MBTL1TSHRALDH1A1HTTMEN1
SCHEMBL6981442 0.70 L3MBTL1 (0.41) L3MBTL1TSHRALDH1A1MEN1KMT2A

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
EP-1098893-B1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2003-03-26 EP disclosed