SCHEMBL8567392

SCHEMBL8567392

CCO[C@@H](OC)[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
NAMPT P43490 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
CTSK P43235 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
BCHE P06276 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
NR1I3 Q14994 1/20 0.35
NOTUM Q6P988 2/20 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
SCHEMBL12376485 0.81 KDM1A (0.44) KDM1ANAMPTHDAC1HDAC6BCHE
SCHEMBL20565763 0.78 KDM1A (0.39) KDM1ANAMPTHDAC1HDAC6BCHE
SCHEMBL8567390 0.76 NAMPT (0.40) KDM1ANAMPTHDAC1HDAC6BCHE
SCHEMBL8567399 0.76 NAMPT (0.40) KDM1ANAMPTHDAC1HDAC6BCHE
SCHEMBL6648174 0.75 NOTUM (0.47) KDM1ANAMPTHDAC1HDAC6BCHE
SCHEMBL16353535 0.75 NOTUM (0.47) KDM1ANAMPTHDAC1HDAC6BCHE
SCHEMBL14587287 0.75 KDM1A (0.46) KDM1ANAMPTHDAC1HDAC6BCHE
SCHEMBL16353667 0.75 NOTUM (0.47) KDM1ANAMPTHDAC1HDAC6BCHE
SCHEMBL16385108 0.75 NOTUM (0.47) KDM1ANAMPTHDAC1HDAC6BCHE
SCHEMBL14587286 0.75 KDM1A (0.46) KDM1ANAMPTHDAC1HDAC6BCHE

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
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed