SCHEMBL5812692

SCHEMBL5812692

COC(=O)c1ccc(C=C(CCOc2cccc3ccccc23)CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
HEXA P06865 1/20 0.42
HEXB P07686 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.39
P2RX3 P56373 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37

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
SCHEMBL5812686 1.00 POLB (0.47) POLBHEXAHEXBTSHRALDH1A1
SCHEMBL5808192 0.90 MAPT (0.42) POLBHEXAHEXBALDH1A1MAPT
SCHEMBL5808195 0.90 MAPT (0.42) POLBHEXAHEXBALDH1A1MAPT
SCHEMBL5813909 0.90 PIN1 (0.45) POLBALDH1A1MAPTKDM4EHPGD
SCHEMBL5813912 0.90 PIN1 (0.45) POLBALDH1A1MAPTKDM4EHPGD
SCHEMBL5814021 0.89 P2RX3 (0.47) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL5814023 0.89 P2RX3 (0.47) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL5796244 0.84 TDP1 (0.46) POLBALDH1A1MAPTKDM4EHPGD
SCHEMBL5796248 0.84 TDP1 (0.46) POLBALDH1A1MAPTKDM4EHPGD
SCHEMBL5796948 0.82 HTR1B (0.45) TSHRALDH1A1MAPTKDM4EHPGD

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