SCHEMBL6034151

SCHEMBL6034151

C=C(F)C(=O)Oc1cc(OC(=O)c2ccc(-c3ccc(C(C)O)cc3)cc2)ccc1OCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
PTGS2 P35354 1/20 0.37
THRB P10828 2/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ACACB O00763 2/20 0.35
ACACA Q13085 2/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6033534 0.99 KMT2A (0.38) MAPTPTGS2THRBTP53KMT2A
SCHEMBL12731097 0.89 MAPT (0.45) MAPTTHRBTP53KMT2ACCNC
SCHEMBL14507240 0.88 KMT2A (0.47) MAPTTHRBTP53KMT2ACCNC
SCHEMBL5961761 0.87 TP53 (0.43) MAPTTHRBTP53KMT2A
SCHEMBL5961774 0.86 THRB (0.43) MAPTTHRBTP53KMT2A
SCHEMBL10071027 0.79 HIF1A (0.34) MAPTKMT2AHIF1A
SCHEMBL10120919 0.79 KMT2A (0.56) MAPTPTGS2THRBTP53KMT2A
SCHEMBL10071953 0.75 RXRA (0.41) MAPTPTGS2TP53KMT2AACACB
SCHEMBL14507437 0.75 MAPT (0.51) MAPTTP53KMT2ATSHR
SCHEMBL13206937 0.75 ALDH1A1 (0.41) MAPTTP53KMT2ACCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919648-B2 Lateral α-substituted acrylate compound and polymer thereof CHISSO CORPORATION (JP) 2011-04-05 US disclosed