SCHEMBL3820131

SCHEMBL3820131

O=C(O)Oc1cc[c]c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5135913 0.87 LMNA (0.46) KDM4ECYP3A4LMNAMEN1KMT2A
SCHEMBL3820731 0.83 MEN1 (0.52) MEN1KMT2A
SCHEMBL4777768 0.74 ALDH1A1 (0.39) KDM4ELMNAMEN1KMT2ANPC1
SCHEMBL900568 0.72 ALOX15 (0.35) LMNAMEN1KMT2ARAB9ANPSR1
SCHEMBL2125310 0.71
SCHEMBL4242 0.71
SCHEMBL920762 0.71 LTA4H (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3813013 0.71
SCHEMBL920773 0.70
SCHEMBL28009538 0.70 LMNA (0.38) LMNAMEN1KMT2ANPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089988-B1 FLUOROPHENYL RESIN COMPOUNDS AVENTIS PHARMA INC (US) 2009-08-12 EP disclosed
EP-1089988-A4 FLUOROPHENYL RESIN COMPOUNDS AVENTIS PHARM PROD INC (US) 2005-01-19 EP disclosed
EP-1089988-A1 FLUOROPHENYL RESIN COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-04-11 EP disclosed
WO-1999067228-A1 FLUOROPHENYL RESIN COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-29 WO disclosed