SCHEMBL4621773

SCHEMBL4621773

NC(=O)CC[C@H](NC(=O)C1c2ccccc2-c2ccccc21)C(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
CYP19A1 P11511 3/20 0.35
CYP17A1 P05093 2/20 0.35
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL4622382 0.78 IDO1 (0.43) MCHR1HDAC3HDAC4HDAC7HDAC8
SCHEMBL2243802 0.78 KMT2A (0.53) MCHR1HDAC3HDAC4HDAC7HDAC8
SCHEMBL4623079 0.77 DRD2 (0.40) MCHR1KDM4EALDH1A1HPGD
SCHEMBL4621604 0.73 NPC1 (0.44) KMT2AKDM4EALDH1A1LMNAHPGD
SCHEMBL2243798 0.70 HDAC3 (0.46) MCHR1HDAC3HDAC4HDAC7HDAC8
SCHEMBL2245077 0.69 KMT2A (0.43) KMT2A
SCHEMBL23421255 0.68 KMT2A (0.50) KMT2A
SCHEMBL29682496 0.68 KMT2A (0.50) KMT2A
SCHEMBL2250144 0.67 KMT2A (0.46) KMT2A
SCHEMBL2244784 0.67 KMT2A (0.46) KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO disclosed