SCHEMBL5799682

SCHEMBL5799682

COc1ccc(NCC(=Cc2ccc(C(=O)O)cc2)CC(O)c2cccc3ccccc23)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HDAC1 Q13547 2/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PABPC1 P11940 3/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
MCL1 Q07820 1/20 0.36
PKM P14618 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL5795637 0.93 HDAC1 (0.37) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5796436 0.92 HDAC1 (0.45) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5799923 0.87 GCGR (0.43) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5799659 0.85 MTNR1A (0.41) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5812472 0.84 NPC1 (0.40) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5799741 0.83 ALDH1A1 (0.40) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL5796765 0.83 MAPT (0.41) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5799640 0.82 MAPT (0.52) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL5823657 0.81 ALDH1A1 (0.46) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5796946 0.78 MTNR1A (0.43) NPC1RAB9AKMT2AMEN1ALDH1A1

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-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed