SCHEMBL7423869

SCHEMBL7423869

CCOC(=O)C1CN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
HTR2C P28335 1/20 0.49
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
CACNA1A O00555 1/20 0.47
CACNA2D1 P54289 1/20 0.47
CACNB1 Q02641 1/20 0.47
FKBP1A P62942 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ELANE P08246 1/20 0.47

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
SCHEMBL7310404 0.89 POLB (0.62) POLBHTR2CTSHRL3MBTL1KDM4E
SCHEMBL16356837 0.89 POLB (0.52) POLBHTR2CTSHRL3MBTL1KDM4E
SCHEMBL8482480 0.89 POLB (0.62) POLBHTR2CTSHRL3MBTL1KDM4E
SCHEMBL8477698 0.89 POLB (0.62) POLBHTR2CTSHRL3MBTL1KDM4E
SCHEMBL8477557 0.89 POLB (0.62) POLBHTR2CTSHRL3MBTL1KDM4E
SCHEMBL8477697 0.89 POLB (0.62) POLBHTR2CTSHRL3MBTL1KDM4E
SCHEMBL8477564 0.89 POLB (0.62) POLBHTR2CTSHRL3MBTL1KDM4E
SCHEMBL19120482 0.89 PDK1 (0.52) TSHRL3MBTL1KDM4ELMNACACNA1A
SCHEMBL16648037 0.88 POLB (0.47) POLBHTR2CTSHRL3MBTL1KDM4E
SCHEMBL16857493 0.87 POLB (0.53) POLBHTR2CTSHRL3MBTL1KDM4E

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-1999054321-A1 SUBSTITUTED DIAMINES AND THEIR USE AS CELL ADHESION INHIBITORS AVENTIS PHARMA LIMITED (GB) 1999-10-28 WO disclosed