SCHEMBL8996129

SCHEMBL8996129

O=C(CCCCCCCCCCBr)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
DGKA P23743 1/20 0.34
VCAM1 P19320 2/20 0.34
PTGS2 P35354 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 3/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
DUSP3 P51452 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8996230 1.00 KMT2A (0.39) KMT2AMEN1DGKAVCAM1PTGS2
SCHEMBL3940182 1.00 KMT2A (0.39) KMT2AMEN1DGKAVCAM1PTGS2
SCHEMBL3537007 0.98 KMT2A (0.40) KMT2AMEN1DGKAVCAM1PTGS2
SCHEMBL3536100 0.92 KMT2A (0.41) KMT2AMEN1VCAM1LMNATSHR
SCHEMBL25495837 0.92 KMT2A (0.43) KMT2AMEN1DGKAVCAM1LMNA
SCHEMBL522462 0.92 KMT2A (0.43) KMT2AMEN1DGKAVCAM1LMNA
SCHEMBL21049231 0.92 KMT2A (0.43) KMT2AMEN1DGKAVCAM1LMNA
SCHEMBL4953772 0.90 KMT2A (0.44) KMT2AMEN1DGKAVCAM1LMNA
SCHEMBL17337909 0.86 KMT2A (0.48) KMT2AMEN1DGKAVCAM1LMNA
SCHEMBL7880107 0.85 VCAM1 (0.43) KMT2AMEN1DGKAVCAM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563151-A PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-10-08 US disclosed
EP-0623116-A1 AMINO ACID DERIVATIVES AS PAF-RECEPTOR ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014072-A1 AMINO ACID DERIVATIVES AS PAF-RECEPTOR ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-07-22 WO disclosed