SCHEMBL6622009

SCHEMBL6622009

CC(=O)OC(C)C(=O)c1cccc2ccccc12.CC(Br)C(=O)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
PTPN1 P18031 1/20 0.43
PLK1 P53350 1/20 0.43
MMP3 P08254 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CDC25B P30305 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GMNN O75496 2/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL4828419 0.93 NR4A1 (0.50) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL4099062 0.86 NR4A1 (0.57) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL4831542 0.78 NR4A1 (0.47) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL27883139 0.74 KMT2A (0.50) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL4109121 0.73 NR4A1 (0.53) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL32665708 0.72 NR4A1 (0.61) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL5716814 0.72 NR4A1 (0.61) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL28924687 0.72 CES2 (0.47) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL2599098 0.71 NR4A1 (0.59) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL2599103 0.71 NR4A1 (0.59) NR4A1NR4A2NR4A3PTPN1PLK1

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-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 EP disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 WO disclosed