SCHEMBL8248504

SCHEMBL8248504

CCN(CC)CCNc1ccc(/C=C/C(=O)O)cc1NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
HDAC6 Q9UBN7 5/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 1/20 0.36
ACHE P22303 4/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
BCHE P06276 2/20 0.34
OPRD1 P41143 1/20 0.34
CXCR2 P25025 1/20 0.34

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
SCHEMBL842298 0.93 KMT2A (0.37) KMT2AHDAC6KDM4EALDH1A1EPHX2
SCHEMBL10173243 0.91 KMT2A (0.37) KMT2AHDAC6KDM4EALDH1A1EPHX2
SCHEMBL16781650 0.76 KMT2A (0.49) KMT2AEPHX2
SCHEMBL16781651 0.76 KMT2A (0.49) KMT2AEPHX2
SCHEMBL16486347 0.75 KMT2A (0.53) KMT2AEPHX2
SCHEMBL16781639 0.71 KMT2A (0.44) KMT2AKDM4EEPHX2
SCHEMBL16781640 0.71 KMT2A (0.44) KMT2AKDM4EEPHX2
SCHEMBL1252591 0.70 KMT2A (0.47) KMT2AEPHX2OPRD1CXCR2
SCHEMBL14864719 0.70 KMT2A (0.47) KMT2AEPHX2OPRD1CXCR2
SCHEMBL27906755 0.70 KMT2A (0.52) KMT2AALDH1A1EPHX2CXCR2

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-2007030080-A1 HETEROCYCLIC COMPOUNDS S*BIO PTE LTD (SG) 2007-03-15 WO disclosed