SCHEMBL4541504

SCHEMBL4541504

CC(=O)OOc1cc(C(C)(C)C)ccc1/C=N\O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 3/20 0.34
HPGD P15428 3/20 0.34
USP2 O75604 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ALOX12 P18054 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN10A Q9Y5Y9 5/20 0.34
FGF23 Q9GZV9 1/20 0.33
CYP2C19 P33261 1/20 0.33
LRRK2 Q5S007 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
CTDSP1 Q9GZU7 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
SCHEMBL4541510 1.00 MAPT (0.50) MAPTSMN1; SMN2LMNAHPGDUSP2
SCHEMBL4541508 0.86 MAPT (0.53) MAPTSMN1; SMN2LMNAHPGDUSP2
SCHEMBL4541506 0.77 CYP2C19 (0.57) MAPTSMN1; SMN2USP2KDM4EMEN1
SCHEMBL8943045 0.71 MAPT (0.74) MAPTSMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL8943048 0.71 MAPT (0.74) MAPTSMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL15829414 0.70 MAPT (0.63) MAPTSMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL12724869 0.69 MAPT (0.62) MAPTSMN1; SMN2HPGDALDH1A1ALOX12
SCHEMBL31251637 0.69 MAPT (0.62) MAPTSMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL20148142 0.69 MAPT (0.62) MAPTSMN1; SMN2HPGDALDH1A1ALOX12
SCHEMBL11521420 0.67 MAPT (1.00) MAPTSMN1; SMN2LMNAHPGDALDH1A1

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-2009081222-A1 SUBSTITUTED TRICYCLIC PYRIDINE OR PYRIMIDINE VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-02 WO disclosed