SCHEMBL4591879

SCHEMBL4591879

O=C(Nc1cccc(C(F)(F)F)c1)c1c(O)c(O)cc(-c2ccccc2)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.58
MAPT P10636 2/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 2/20 0.54
RAB9A P51151 1/20 0.54
SLC2A1 P11166 1/20 0.54
P2RX4 Q99571 1/20 0.54
P2RX7 Q99572 1/20 0.54
TMPRSS4 Q9NRS4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KCNK3 O14649 1/20 0.53
LMNA P02545 1/20 0.52
RXFP1 Q9HBX9 4/20 0.52
PTGS1 P23219 1/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
EPAS1 Q99814 1/20 0.50
OPRK1 P41145 1/20 0.50

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
SCHEMBL29561761 0.79 HTT (0.69) P2RX1MAPTMEN1HTTKMT2A
SCHEMBL16670141 0.79 HTT (0.69) P2RX1MAPTMEN1HTTKMT2A
SCHEMBL4683413 0.75 KCNK3 (0.88) P2RX1MAPTMEN1HTTKMT2A
SCHEMBL5595455 0.75 MEN1 (0.67) MAPTMEN1HTTKMT2ARAB9A
Salfluverine SCHEMBL2700016 0.74 P2RX1 (1.00) P2RX1MAPTSLC2A1P2RX4P2RX7
SCHEMBL23060405 0.74 MAPT (0.72) P2RX1MAPTMEN1HTTKMT2A
Hydrochloric Acid SCHEMBL29693050 0.74 KCNK3 (0.86) P2RX1MAPTMEN1HTTKMT2A
SCHEMBL3473744 0.74 BCL2L1 (0.60) P2RX1MAPTMEN1HTTKMT2A
SCHEMBL4261337 0.74 P2RX1 (0.66) P2RX1MAPTMEN1HTTKMT2A
SCHEMBL7182329 0.73 MAPT (0.63) P2RX1MAPTMEN1KMT2ARAB9A

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-1937237-A1 NOVEL PHLOROGLUCINOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY Revotar Biopharmaceuticals AG (DE) 2008-07-02 EP disclosed
WO-2007039112-A1 NOVEL PHLOROGLUCINOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 WO disclosed