SCHEMBL6504529

SCHEMBL6504529

[CH2]NC(=O)Cc1ccc(OC)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.62
KMT2A Q03164 3/20 0.61
GAA P10253 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
POLB P06746 1/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 2/20 0.57
ALDH1A1 P00352 1/20 0.57
ALPL P05186 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPC1 O15118 1/20 0.55

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
SCHEMBL21156696 0.85 EPHX2 (0.64) EPHX2KMT2AGAAL3MBTL1POLB
SCHEMBL2403269 0.85 KMT2A (0.71) EPHX2KMT2AGAAL3MBTL1POLB
SCHEMBL198282 0.84 ALDH1A1 (0.62) EPHX2KMT2AGAAPOLBKDM4E
SCHEMBL29626821 0.84 ALDH1A1 (0.62) EPHX2KMT2AGAAPOLBKDM4E
SCHEMBL602779 0.83 EPHX2 (0.62) EPHX2KMT2AGAAL3MBTL1POLB
SCHEMBL8259636 0.81 KMT2A (0.62) EPHX2KMT2AGAAL3MBTL1POLB
SCHEMBL11187045 0.80 LMNA (0.63) EPHX2KMT2AGAAPOLBKDM4E
SCHEMBL30859524 0.80 LMNA (0.63) EPHX2KMT2AGAAPOLBKDM4E
SCHEMBL2406403 0.80 SIGMAR1 (0.70) EPHX2KMT2AGAAL3MBTL1POLB
SCHEMBL17993526 0.80 KMT2A (0.64) EPHX2KMT2AGAAL3MBTL1POLB

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-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed