SCHEMBL9409552

SCHEMBL9409552

COC(=O)[C@H]1CC[C@H](NC(=O)c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
HDAC4 P56524 2/20 0.51
POLB P06746 1/20 0.50
NAMPT P43490 1/20 0.50
LCK P06239 1/20 0.48
JAK3 P52333 1/20 0.48
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 3/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EPHX1 P07099 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
THRB P10828 1/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 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
SCHEMBL4181896 0.92 HDAC4 (0.57) KMT2AHDAC4POLBNAMPTLCK
SCHEMBL9409500 0.84 HDAC4 (0.48) KMT2AHDAC4POLBNAMPTLCK
SCHEMBL14161696 0.81 KMT2A (0.46) KMT2AHDAC4POLBNAMPTLCK
SCHEMBL20354579 0.81 NAMPT (0.58) KMT2ANAMPTKDM4EPKMALDH1A1
SCHEMBL3705072 0.80 HDAC4 (0.54) KMT2AHDAC4POLBNAMPTKDM4E
SCHEMBL3697118 0.80 HDAC4 (0.54) KMT2AHDAC4POLBNAMPTKDM4E
SCHEMBL17572994 0.80 HDAC4 (0.60) KMT2AHDAC4POLBKDM4EPKM
SCHEMBL1199259 0.80 NAMPT (0.57) KMT2ANAMPTKDM4EPKMLMNA
SCHEMBL1198897 0.80 NAMPT (0.60) KMT2ANAMPTKDM4EPKMALDH1A1
SCHEMBL28457523 0.79 ALDH1A1 (0.70) KMT2AHDAC4LMNAALDH1A1EPHX1

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
EP-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP disclosed