SCHEMBL8553299

SCHEMBL8553299

CCOC(=O)Oc1[nH]c2cc(OC(C)C)c(OC)cc2c1-c1ccc(OC)cc1OCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BLM P54132 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 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
SCHEMBL8591475 0.94 PTPN1 (0.42) PTPN1KMT2AMEN1MAPTNPSR1
SCHEMBL8550982 0.87 CTSV (0.44) PTPN1MAPTALDH1A1HPGDGABRA1
SCHEMBL8553319 0.86 PDE4B (0.40) PTPN1KMT2AMEN1MAPTBLM
SCHEMBL8553723 0.80 FFAR1 (0.44) PTPN1KMT2AMEN1MAPTALDH1A1
SCHEMBL8594175 0.76 ALDH1A1 (0.39) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL8551010 0.75 KDM4E (0.47) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL8697275 0.75 PTPN1 (0.42) PTPN1MAPTALDH1A1SMN1; SMN2ADORA2B
SCHEMBL8547478 0.73 EDNRB (0.43) PTPN1KMT2AMEN1MAPTKDM4E
SCHEMBL8552363 0.71 NPC1 (0.41) KMT2AMEN1NPSR1KDM4EALDH1A1
SCHEMBL8552481 0.71 AKR1C2 (0.51) PTPN1KMT2AMEN1MAPTL3MBTL1

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-0863898-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1998-09-16 EP disclosed
WO-1997019077-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-05-29 WO disclosed