SCHEMBL5799126

SCHEMBL5799126

CCn1c2ccccc2c2cc(NCC(=Cc3ccc(C(=O)OC)cc3)CC(O)c3cccc4ccccc34)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.44
MAPT P10636 11/20 0.43
KDM4E B2RXH2 9/20 0.43
HPGD P15428 7/20 0.43
LMNA P02545 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HCRTR1 O43613 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
RORC P51449 1/20 0.41
NPY5R Q15761 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5823657 0.84 ALDH1A1 (0.46) MAPTHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL5796946 0.82 MTNR1A (0.43) MAPTHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL5795637 0.79 HDAC1 (0.37) MAPTKDM4EHPGDLMNASMN1; SMN2
SCHEMBL5808415 0.76 MAPT (0.43) MAPTKDM4EHPGDLMNASMN1; SMN2
SCHEMBL5797087 0.76 CHRM2 (0.53) PTGER4MAPTKDM4EHPGDLMNA
SCHEMBL5799640 0.76 MAPT (0.52) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5799659 0.76 MTNR1A (0.41) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL5799923 0.75 GCGR (0.43) MAPTKDM4EHPGDLMNAALDH1A1
SCHEMBL5808242 0.75 P2RX3 (0.45) MAPTKDM4EHPGDLMNASMN1; SMN2
SCHEMBL5808245 0.75 P2RX3 (0.45) MAPTKDM4EHPGDLMNASMN1; SMN2

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