SCHEMBL8259986

SCHEMBL8259986

CCOC(=O)[C@@H](I)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 4/20 0.48
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.46
RAB9A P51151 3/20 0.46
AR P10275 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR2A P28223 1/20 0.44

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
SCHEMBL2672728 0.86 MAPT (0.59) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL5160644 0.85 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL5160654 0.85 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL5002620 0.84 MAPT (0.50) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL1859542 0.84 MAPT (0.50) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL9656917 0.84 EPHX2 (0.51) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL1068871 0.84 MAPT (0.50) MAPTCRHBPCRHR2L3MBTL1LMNA
Hydrochloric Acid SCHEMBL17707255 0.82 ALDH1A1 (0.50) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL2692896 0.82 MAPT (0.49) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL2692898 0.82 MAPT (0.49) MAPTCRHBPCRHR2L3MBTL1LMNA

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-2006115918-A2 VLA-4 ANTAGONISTS MERCK & CO., INC. (US) 2006-11-02 WO disclosed