SCHEMBL6825922

SCHEMBL6825922

CC(C)(C)[C@H](NC(=O)Nc1ccccc1OC(F)(F)F)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
MMP2 P08253 6/20 0.37
MMP3 P08254 3/20 0.37
BMP1 P13497 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
CXCR2 P25025 4/20 0.36
ANPEP P15144 1/20 0.35
DGAT1 O75907 1/20 0.34

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
SCHEMBL6822409 0.91 TDP1 (0.46) MMP2TDP1L3MBTL1LMNAANPEP
SCHEMBL6822125 0.89 KMT2A (0.46) TDP1L3MBTL1LMNA
SCHEMBL6822282 0.89 ANPEP (0.45) TDP1L3MBTL1LMNAANPEP
SCHEMBL6825963 0.87 ALDH1A1 (0.46) EPHX2MMP2MMP3BMP1LMNA
SCHEMBL6822301 0.87 ALDH1A1 (0.46) EPHX2MMP2MMP3BMP1LMNA
SCHEMBL6822309 0.85 TAS1R3 (0.47) EPHX2MMP2MMP3BMP1ANPEP
SCHEMBL6825943 0.85 KMT2A (0.44) MMP2MMP3BMP1
SCHEMBL6827552 0.84 TDP1 (0.48) EPHX2TDP1L3MBTL1
SCHEMBL6825435 0.84 NPC1 (0.43) MMP2MMP3BMP1LMNAANPEP
SCHEMBL6827632 0.83 TAS1R3 (0.44) EPHX2MMP2MMP3BMP1L3MBTL1

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