SCHEMBL5799558

SCHEMBL5799558

CC(=Cc1ccc(C(=O)O)cc1)CNc1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
MAPT P10636 6/20 0.63
KDM4E B2RXH2 3/20 0.63
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 2/20 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
SCHEMBL5808920 0.88 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5795578 0.88 HDAC1 (0.66) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5796774 0.83 MAPT (0.48) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5795757 0.82 POLB (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5797374 0.82 HDAC6 (0.59) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5799597 0.81 NPC1 (0.50) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5795676 0.80 MAPT (0.51) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5812423 0.78 FFAR1 (0.56) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL5796204 0.78 HDAC6 (0.83) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5796202 0.78 HDAC6 (0.83) ALDH1A1MEN1KMT2AMAPTKDM4E

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