SCHEMBL6974639

SCHEMBL6974639

O=C(O)C1OCC2(CO1)c1ccccc1-c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 1/20 0.40
APEX1 P27695 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ITGA4 P13612 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
POLB P06746 2/20 0.36
CASP6 P55212 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK2 Q15119 4/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
EDNRB P24530 1/20 0.32

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
SCHEMBL7816054 0.81 ALDH1A1 (0.37) KMT2AALDH1A1MAPTITGA4L3MBTL1
SCHEMBL6981034 0.80 L3MBTL1 (0.43) KMT2AALDH1A1POLBCASP6SMN1; SMN2
SCHEMBL7813440 0.74 MAPT (0.41) TDP1KMT2AALDH1A1MAPTITGA4
SCHEMBL7812040 0.74 MAPT (0.38) TDP1KMT2AALDH1A1MAPTITGA4
SCHEMBL6981442 0.73 L3MBTL1 (0.41) TDP1KMT2AALDH1A1MAPTITGA4
SCHEMBL6982212 0.71 THRB (0.46) THRBTDP1KMT2AAPEX1ALDH1A1
SCHEMBL16868730 0.71 PDK2 (0.38) THRBTDP1KMT2AAPEX1ALDH1A1
SCHEMBL6982681 0.70 THRB (0.44) THRBTDP1KMT2AAPEX1ALDH1A1
SCHEMBL6981621 0.69 APEX1 (0.42) THRBTDP1KMT2AAPEX1ALDH1A1
SCHEMBL9868039 0.66 CYP2C19 (0.38) KMT2A

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