SCHEMBL2227072

SCHEMBL2227072

O=C(O)c1cc(O)c(O)c(OCc2ccccc2)c1.O=C(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1.O=C(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1.O=C(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1.O=C(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MRGPRX4 Q96LA9 3/20 0.50
PTPN1 P18031 1/20 0.50
PTGER1 P34995 3/20 0.49
NR4A2 P43354 2/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
PTGS2 P35354 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MCL1 Q07820 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
SCHEMBL4876543 0.94 MEN1 (0.61) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL30307916 0.94 MEN1 (0.61) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL793724 0.91 MEN1 (0.65) LMNAHPGDMEN1KMT2AMRGPRX4
Hydrochloric Acid SCHEMBL514496 0.90 MEN1 (0.63) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL14660694 0.90 MEN1 (0.63) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL30307871 0.86 POLB (0.66) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL9052394 0.85 LMNA (0.74) LMNAHPGDMEN1KMT2APTPN1
SCHEMBL17191962 0.84 MRGPRX4 (0.58) MEN1KMT2AMRGPRX4PTGER1NR4A2
SCHEMBL15673277 0.84 RXRA (0.62) HPGDMEN1KMT2AMRGPRX4
SCHEMBL29136466 0.82 HPGD (0.66) LMNAHPGDMEN1KMT2AMRGPRX4

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
WO-2011085454-A1 GP120 -BINDING BENZENE COMPOUNDS AND SACCHARIDE COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN K.U.LEUVEN R&D (BE) 2011-07-21 WO claimed
WO-2011085454-A1 GP120 -BINDING BENZENE COMPOUNDS AND SACCHARIDE COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN K.U.LEUVEN R&D (BE) 2011-07-21 WO disclosed