SCHEMBL6825501

SCHEMBL6825501

CC(C)(C)[C@H](NC(=O)Nc1cccc(Cl)c1)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.48
EPHX1 P07099 2/20 0.48
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
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
MAPK1 P28482 1/20 0.40
THRB P10828 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
CACNA1H O95180 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
SCHEMBL6827769 0.99 EPHX2 (0.49) EPHX2EPHX1LMNAMEN1KMT2A
SCHEMBL6825246 0.92 EPHX2 (0.47) EPHX2EPHX1LMNAMEN1KMT2A
SCHEMBL6822053 0.91 MEN1 (0.36) EPHX2EPHX1MEN1KMT2AMMP2
SCHEMBL6825035 0.90 NPC1 (0.43) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6825276 0.89 MEN1 (0.43) EPHX2MEN1KMT2ANPC1RAB9A
SCHEMBL6827885 0.89 NPC1 (0.45) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6825220 0.88 KMT2A (0.42) EPHX2EPHX1LMNAMEN1KMT2A
SCHEMBL6827613 0.88 P2RY1 (0.43) EPHX2EPHX1MEN1KMT2APOLB
SCHEMBL6822405 0.87 KMT2A (0.50) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL6921629 0.87 NPC1 (0.48) LMNAMEN1KMT2ANPC1RAB9A

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