SCHEMBL6822346

SCHEMBL6822346

CC(C)CCN(CC(=O)NO)C(=O)CC(C)(C)CNC(=O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
POLB P06746 1/20 0.39
HTT P42858 4/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 3/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL6822427 0.93 TRPV1 (0.43) RAB9APOLBMAPTKMT2ALMNA
SCHEMBL6825516 0.88 KMT2A (0.47) POLBMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL6825899 0.85 RAB9A (0.42) RAB9APOLBHTTMAPTNPC1
SCHEMBL6825195 0.83 RAB9A (0.40) RAB9APOLBHTTMAPTNPC1
SCHEMBL6824982 0.82 RAB9A (0.41) RAB9AHTTMAPTNPC1KMT2A
SCHEMBL6825485 0.82 RAB9A (0.43) RAB9AHTTMAPTNPC1KMT2A
SCHEMBL6825420 0.82 LMNA (0.40) RAB9APOLBHTTMAPTNPC1
SCHEMBL6825491 0.80 ITGB1 (0.40) RAB9APOLBHTTMAPTNPC1
SCHEMBL6822424 0.80 ANPEP (0.45) MAPTKMT2ALMNATRPV1
SCHEMBL6822345 0.80 TAS1R3 (0.41) RAB9APOLBHTTMAPTKMT2A

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