SCHEMBL6922973

SCHEMBL6922973

CC(C)(C)[C@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.39
MMP3 P08254 5/20 0.39
BMP1 P13497 1/20 0.39
EPHX1 P07099 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
FPR2 P25090 1/20 0.37
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
NPC1 O15118 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
SCHEMBL6825377 0.90 NPC1 (0.42) RAB9ALMNANPC1CASR
SCHEMBL6825450 0.89 KLK7 (0.40) MMP2MMP3EPHX1RAB9ALMNA
SCHEMBL6825223 0.87 KMT2A (0.38) MMP2MMP3FPR2RAB9AUTS2R
SCHEMBL6827551 0.86 EPHX1 (0.42) EPHX1FPR2RAB9ALMNANPC1
SCHEMBL6825075 0.85 MMP1 (0.43) MMP2EPHX1KMT2AEPHX2
SCHEMBL6827552 0.85 TDP1 (0.48) EPHX1FPR2EPHX2
SCHEMBL6825220 0.84 KMT2A (0.42) MMP2EPHX1FPR2RAB9ALMNA
SCHEMBL6825035 0.84 NPC1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6822141 0.84 RAB9A (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6825501 0.84 EPHX2 (0.48) MMP2EPHX1RAB9ALMNANPC1

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