SCHEMBL9800484

SCHEMBL9800484

C[C@@H](Cc1ccccc1)OC(=O)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MMP8 P22894 1/20 0.53
TP53 P04637 1/20 0.51
FKBP1A P62942 1/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSH P09668 1/20 0.51
CTSK P43235 1/20 0.51
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
CASP3 P42574 1/20 0.47

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
SCHEMBL9800577 0.85 HPGD (0.52) KMT2AMEN1NPSR1NPC1SMN1; SMN2
SCHEMBL7287136 0.84 KMT2A (0.58) KMT2AMEN1NPSR1MMP8TP53
SCHEMBL7287129 0.84 KMT2A (0.58) KMT2AMEN1NPSR1MMP8TP53
SCHEMBL7287305 0.83 KMT2A (0.57) KMT2AMEN1NPSR1MMP8TP53
SCHEMBL7290435 0.83 KMT2A (0.56) KMT2AMEN1NPSR1MMP8TP53
SCHEMBL7290442 0.83 KMT2A (0.56) KMT2AMEN1NPSR1MMP8TP53
SCHEMBL7437832 0.82 KMT2A (0.56) KMT2AMEN1NPSR1MMP8TP53
SCHEMBL7437830 0.82 KMT2A (0.56) KMT2AMEN1NPSR1MMP8TP53
SCHEMBL7326296 0.80 KMT2A (0.67) KMT2AMEN1NPSR1MMP8TP53
SCHEMBL9355043 0.80 KMT2A (0.53) KMT2AMEN1NPSR1MMP8TP53

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
EP-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed