SCHEMBL6822345

SCHEMBL6822345

CC(C)CCN(CC(=O)NO)C(=O)[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.37
ANPEP P15144 1/20 0.37
HPGD P15428 2/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6822426 0.93 MEN1 (0.40) RAB9APOLBMAPK1MAPTMEN1
SCHEMBL6825190 0.89 TAS1R3 (0.43) TAS1R3TAS1R1RAB9APOLBMAPK1
SCHEMBL6825506 0.87 KMT2A (0.56) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL6825262 0.85 RAB9A (0.43) TAS1R3TAS1R1RAB9APOLBMAPK1
SCHEMBL6923321 0.85 MAPK1 (0.47) RAB9AMAPK1MAPTMEN1KMT2A
SCHEMBL6825284 0.84 CA2 (0.43) RAB9APOLBMAPTMEN1KMT2A
SCHEMBL6824826 0.83 RAB9A (0.43) TAS1R3TAS1R1RAB9AMAPK1MAPT
SCHEMBL6822110 0.83 RAB9A (0.41) TAS1R3TAS1R1RAB9AMAPK1MAPT
SCHEMBL6825415 0.81 LMNA (0.41) RAB9APOLBMAPK1MAPTMEN1
SCHEMBL6825580 0.81 ALDH1A1 (0.43) POLBMAPTMEN1KMT2AANPEP

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-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed