SCHEMBL4752313

SCHEMBL4752313

C[C@@H](OC(=O)N1CCN(C(=O)O[C@H](C)n2ncc3ccccc32)CC1)n1ncc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
POLB P06746 3/20 0.50
TSHR P16473 3/20 0.50
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PLA2G7 Q13093 1/20 0.39
MGLL Q99685 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
ELANE P08246 1/20 0.39
KDM5A P29375 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KMO O15229 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
ACACB O00763 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
SCHEMBL4751782 0.78 POLB (0.59) HSD17B10POLBTSHRRECQLL3MBTL1
SCHEMBL4303680 0.76 HSD17B10 (0.47) HSD17B10POLBALDH1A1MGLLNPC1
SCHEMBL14722845 0.75 RECQL (0.39) HSD17B10RECQLKDM4EALDH1A1ELANE
SCHEMBL28505046 0.73 ELANE (0.37) HSD17B10POLBTSHRRECQLL3MBTL1
SCHEMBL30066427 0.72 KMT2A (0.50) RECQLKDM4EALDH1A1ELANENPC1
Oxalic Acid SCHEMBL14810479 0.72 KMO (0.46) RECQLKDM4EELANENPC1RAB9A
SCHEMBL4553548 0.72 KMT2A (0.50) RECQLKDM4EALDH1A1ELANENPC1
SCHEMBL30730294 0.71 NPC1 (0.42) HSD17B10POLBTSHRL3MBTL1KDM4E
SCHEMBL29350890 0.70 RECQL (0.43) HSD17B10TSHRRECQLKDM4EALDH1A1
SCHEMBL878425 0.70 RECQL (0.43) HSD17B10TSHRRECQLKDM4EALDH1A1

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed