SCHEMBL13715871

SCHEMBL13715871

Cc1cc(C(=O)NCC(C)C)ccc1-c1cc(O)ccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 3/20 0.46
F3 P13726 5/20 0.45
F7 P08709 4/20 0.45
F2 P00734 3/20 0.45
F10 P00742 3/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPK14 Q16539 2/20 0.43
MEN1 O00255 2/20 0.41
MLYCD O95822 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACSS2 Q9NR19 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
HSD17B1 P14061 1/20 0.36
PLG P00747 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
SCHEMBL13716053 0.80 KMT2A (0.45) KMT2AGAAHSD17B10HPGDF3
SCHEMBL6348347 0.73 F2 (0.55) KMT2AGAAHSD17B10HPGDF3
SCHEMBL162726 0.72 MLYCD (0.65) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL7665736 0.70 F3 (0.51) KMT2AGAAHSD17B10HPGDF3
SCHEMBL7652022 0.70 F3 (0.48) KMT2AGAAHSD17B10HPGDF3
SCHEMBL18434389 0.70 HPGD (0.77) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL161881 0.70 KMT2A (0.81) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL15921303 0.69 MAPK14 (0.45) HPGDMAPK14ACSS2
SCHEMBL17865783 0.68 MLYCD (0.73) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL19657222 0.68 TAS1R3 (0.62) KMT2AGAAHSD17B10HPGDKDM4E

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-1383731-B1 BIARYL COMPOUNDS AS SERINE PROTEASE INHIBITORS BIOCRYST PHARM INC (US) 2009-08-05 EP disclosed