SCHEMBL6131764

SCHEMBL6131764

O=C(O)CC(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.79
NR4A2 P43354 4/20 0.72
SMPD1 P17405 2/20 0.69
MAOB P27338 1/20 0.68
SRD5A2 P31213 1/20 0.63
NR1H4 Q96RI1 1/20 0.60
GPR132 Q9UNW8 1/20 0.59
CYP19A1 P11511 1/20 0.58
FAAH O00519 1/20 0.58
CNR2 P34972 1/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GUSB P08236 1/20 0.57
FFAR1 O14842 1/20 0.56
BCHE P06276 1/20 0.56

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
SCHEMBL6951340 0.88 PTPN1 (1.00) PTPN1NR4A2SMPD1MAOBSRD5A2
SCHEMBL3442550 0.88 PTPN1 (0.75) PTPN1NR4A2SMPD1MAOBSRD5A2
SCHEMBL13427458 0.88 MEN1 (0.71) PTPN1NR4A2SMPD1MAOBSRD5A2
SCHEMBL7531827 0.87 PTPN1 (0.73) PTPN1NR4A2SMPD1MAOBSRD5A2
SCHEMBL7901142 0.86 NR4A2 (0.74) PTPN1NR4A2SMPD1MAOBSRD5A2
SCHEMBL1800966 0.86 NR4A2 (0.74) PTPN1NR4A2SMPD1MAOBSRD5A2
SCHEMBL1438839 0.85 NR4A2 (0.72) PTPN1NR4A2SMPD1MAOBSRD5A2
SCHEMBL7337987 0.85 NR4A2 (0.72) PTPN1NR4A2SMPD1MAOBSRD5A2
SCHEMBL2152475 0.85 MAOB (0.73) PTPN1NR4A2SMPD1MAOBSRD5A2
SCHEMBL31130421 0.85 PTPN1 (0.78) PTPN1NR4A2SMPD1MAOBSRD5A2

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-1575940-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2005-09-21 EP disclosed
WO-2004048365-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2004-06-10 WO disclosed