SCHEMBL6825880

SCHEMBL6825880

COc1cccc(NC(=O)N[C@H](C(=O)N(CCC(C)C)CC(=O)NO)C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.49
THRB P10828 1/20 0.48
UTS2R Q9UKP6 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
POLB P06746 2/20 0.42
CASR P41180 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6822072 0.88 MEN1 (0.44) SMN1; SMN2MAPTMMP1MMP3MEN1
SCHEMBL6923321 0.87 MAPK1 (0.47) THRBSMN1; SMN2LMNAHTTNPC1
SCHEMBL6825521 0.86 NPC1 (0.46) CCKBRTHRBUTS2RLMNAHTT
SCHEMBL6822423 0.83 ANPEP (0.52) SMN1; SMN2MAPTMAPK1ALDH1A1MEN1
SCHEMBL6921629 0.82 NPC1 (0.48) CCKBRTHRBSMN1; SMN2LMNAHTT
SCHEMBL6825284 0.82 CA2 (0.43) SMN1; SMN2LMNANPC1MAPTRAB9A
SCHEMBL6825482 0.82 MEN1 (0.39) CCKBRSMN1; SMN2LMNAMAPTMMP1
SCHEMBL6825882 0.80 CASR (0.45) CCKBRTHRBUTS2RSMN1; SMN2LMNA
SCHEMBL6825506 0.79 KMT2A (0.56) SMN1; SMN2LMNANPC1MAPTALDH1A1
SCHEMBL6825377 0.77 NPC1 (0.42) CCKBRTHRBSMN1; SMN2LMNAHTT

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