SCHEMBL8428236

SCHEMBL8428236

CCCCCC(CC(=O)Nc1ccccc1C(=O)NC(C)(C)C)c1ccc(OC)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL8148382 0.90 PTK2 (0.45) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL8428238 0.83 NPC1 (0.42) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL8799205 0.82 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ETSHRMAPK1
SCHEMBL8132723 0.82 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL8141408 0.80 MAPT (0.39) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL8133787 0.80 CHEK1 (0.44) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL8142631 0.79 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL8149324 0.78 PTK2 (0.41) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL8142644 0.78 HSD17B10 (0.37) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL8148216 0.78 LPAR1 (0.41) ALDH1A1MAPTKDM4ELMNATSHR

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