SCHEMBL6827780

SCHEMBL6827780

CC(C)(CNC(=O)Nc1cccc(Cl)c1)CC(=O)N(CC(=O)NO)CC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.53
EPHX1 P07099 5/20 0.53
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 1/20 0.44
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
USP30 Q70CQ3 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CASR P41180 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6827891 0.90 NPC1 (0.44) EPHX2EPHX1POLBMEN1KMT2A
SCHEMBL6825042 0.90 MEN1 (0.43) EPHX2EPHX1POLBMEN1KMT2A
SCHEMBL6825283 0.89 KMT2A (0.42) EPHX2EPHX1MEN1KMT2ANPC1
SCHEMBL6822406 0.86 KMT2A (0.49) KMT2ATSHR
SCHEMBL6822147 0.86 SMN1; SMN2 (0.41) EPHX2EPHX1POLBMEN1KMT2A
SCHEMBL6827756 0.86 NPC1 (0.46) POLBMEN1LMNAKMT2ANPC1
SCHEMBL6825386 0.85 TP53 (0.38) POLBMEN1LMNAKMT2ARAB9A
SCHEMBL6825485 0.85 RAB9A (0.43) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL6824982 0.83 RAB9A (0.41) LMNAKMT2ANPC1RAB9AUSP30
SCHEMBL6825911 0.83 TP53 (0.38) POLBMEN1LMNAKMT2ARAB9A

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