SCHEMBL8427993

SCHEMBL8427993

CCOC(=O)c1ccc(C=CC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 5/20 0.54
MAPT P10636 5/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 3/20 0.54
PKM P14618 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
POLB P06746 3/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
PTGER4 P35408 1/20 0.51
THRB P10828 1/20 0.47
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.45
USP10 Q14694 1/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL3126932 0.90 KMT2A (0.62) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3126940 0.90 KMT2A (0.62) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL13520164 0.84 KMT2A (0.56) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3598047 0.83 KMT2A (0.61) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3071975 0.82 KMT2A (0.57) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3601937 0.82 KMT2A (0.57) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL1981486 0.77 KMT2A (0.67) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3500828 0.77 KMT2A (0.51) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3500826 0.77 KMT2A (0.51) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL2965278 0.76 KMT2A (0.65) KMT2AALDH1A1MAPTRAB9ANPC1

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
US-5880147-A Amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prohylactic use SANKYO COMPANY, LIMITED (JP) 1999-03-09 US disclosed