SCHEMBL6822141

SCHEMBL6822141

CC(C)(C)[C@H](NC(=O)Nc1ccc(F)c(F)c1)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
NPY2R P49146 1/20 0.37
USP30 Q70CQ3 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CCR3 P51677 1/20 0.35
HDAC3 O15379 1/20 0.35
EGFR P00533 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL6921269 0.90 NPY2R (0.46) NPY2R
SCHEMBL6825450 0.90 KLK7 (0.40) RAB9ANPC1SMN1; SMN2USP30MEN1
SCHEMBL6825276 0.88 MEN1 (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6822392 0.88 SLC6A9 (0.41)
SCHEMBL6825220 0.87 KMT2A (0.42) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL6825423 0.87 S1PR1 (0.44) RAB9ANPC1L3MBTL1NPY2RKMT2A
SCHEMBL6825501 0.86 EPHX2 (0.48) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL6822386 0.86 POLB (0.36) RAB9ANPC1SMN1; SMN2L3MBTL1MEN1
SCHEMBL6825223 0.86 KMT2A (0.38) RAB9ANPC1MEN1KMT2ACCR3
SCHEMBL6822053 0.86 MEN1 (0.36) MEN1KMT2AALDH1A1CCR3MAPT

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