SCHEMBL7399200

SCHEMBL7399200

CNC(=O)C(=O)CCCCCCNC(=O)Nc1ccc(OC)cc1.N=C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 7/20 0.47
HDAC8 Q9BY41 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
FPR2 P25090 4/20 0.46
CASR P41180 1/20 0.46
CNR1 P21554 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
HDAC2 Q92769 6/20 0.45
HDAC3 O15379 4/20 0.45
HDAC4 P56524 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC10 Q969S8 4/20 0.45

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
SCHEMBL7370963 0.94 L3MBTL1 (0.52) ALDH1A1MAPTLMNAL3MBTL1HDAC1
SCHEMBL7398744 0.87 ALDH1A1 (0.49) ALDH1A1LMNAHDAC1HDAC8SMN1; SMN2
SCHEMBL7393732 0.87 PKM (0.58) ALDH1A1MAPTLMNAHDAC1HDAC8
SCHEMBL7400935 0.86 CNR1 (0.50) ALDH1A1HDAC1HDAC8CNR1HDAC2
SCHEMBL7397884 0.86 HDAC1 (0.62) ALDH1A1LMNAHDAC1HDAC8HDAC2
SCHEMBL7366506 0.82 KMT2A (0.47) LMNAHDAC1HDAC8CNR1HDAC2
SCHEMBL7373364 0.82 HDAC1 (0.60) ALDH1A1LMNAHDAC1HDAC8HDAC2
SCHEMBL20708118 0.82 SMN1; SMN2 (0.68) ALDH1A1LMNAL3MBTL1SMN1; SMN2FPR2
SCHEMBL7368829 0.81 PKM (0.64) ALDH1A1MAPTLMNAHDAC1HDAC8
SCHEMBL7367523 0.81 ALDH1A1 (0.54) ALDH1A1LMNAHDAC1HDAC8SMN1; 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-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 WO disclosed