SCHEMBL1721964

SCHEMBL1721964

O=C(N[C@H]1CN(C(=O)O)C[C@@H]1c1ccccc1F)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
EPHX2 P34913 1/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
MDM4 O15151 2/20 0.39
TP53 P04637 2/20 0.39
MDM2 Q00987 1/20 0.39
CASP3 P42574 2/20 0.38
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
F10 P00742 1/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CHRM3 P20309 1/20 0.37
OPRD1 P41143 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
SCHEMBL1725619 0.86 BACE1 (0.42) KMT2AEPHX2TLR2TLR1F10
SCHEMBL148055 0.86 BACE1 (0.42) KMT2AEPHX2TLR2TLR1F10
SCHEMBL148386 0.86 BACE1 (0.42) KMT2AEPHX2TLR2TLR1F10
SCHEMBL3805891 0.86 BACE1 (0.42) KMT2AEPHX2TLR2TLR1F10
SCHEMBL148387 0.86 BACE1 (0.42) KMT2AEPHX2TLR2TLR1F10
SCHEMBL14677261 0.80 KMT2A (0.50) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL151835 0.80 KMT2A (0.46) KMT2AEPHX2MDM4TP53MDM2
SCHEMBL13186511 0.80 KMT2A (0.46) KMT2AEPHX2MDM4TP53MDM2
Hydrochloric Acid SCHEMBL145679 0.79 KMT2A (0.45) KMT2AEPHX2TLR2MDM4TP53
Hydrochloric Acid SCHEMBL145678 0.79 KMT2A (0.45) KMT2AEPHX2TLR2MDM4TP53

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
EP-2406256-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103335-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed