SCHEMBL1739882

SCHEMBL1739882

CCCC(CCC)(Oc1ccc(Cl)cc1/C=C1\C(=O)N(C(=O)OC(C)(C)C)c2cc(Cl)ccc21)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.40
KMT2A Q03164 5/20 0.36
MAPT P10636 2/20 0.35
APP P05067 1/20 0.35
SNCA P37840 1/20 0.35
TSHR P16473 2/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 3/20 0.32
HTT P42858 2/20 0.32
USP2 O75604 1/20 0.32
ITGB2 P05107 1/20 0.32
ITGAM P11215 1/20 0.32
ALDH1A1 P00352 4/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL1740272 1.00 FBP1 (0.40) FBP1KMT2AMAPTAPPSNCA
SCHEMBL1740259 0.90 FBP1 (0.50) FBP1KMT2AMAPTAPPSNCA
SCHEMBL1740258 0.90 FBP1 (0.50) FBP1KMT2AMAPTAPPSNCA
SCHEMBL1738979 0.86 KMT2A (0.34) FBP1KMT2AMAPTAPPSNCA
SCHEMBL7839339 0.85 FBP1 (0.46) FBP1MAPTAPPSNCATSHR
SCHEMBL2422274 0.85 FBP1 (0.45) FBP1KMT2AMAPTAPPSNCA
SCHEMBL2422277 0.85 FBP1 (0.45) FBP1KMT2AMAPTAPPSNCA
SCHEMBL4219230 0.83 FBP1 (0.39) FBP1KMT2AMAPTTSHRABCB11
SCHEMBL3711852 0.83 FBP1 (0.39) FBP1KMT2AMAPTTSHRABCB11
SCHEMBL699507 0.82 FBP1 (0.38) FBP1KMT2AMAPTMEN1

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
EP-2389381-A1 SPIROINDOLINONE DERIVATIVE PRODRUGS F. Hoffmann-La Roche AG (CH) 2011-11-30 EP disclosed
US-8038247-B2 Recording apparatus and recording method CANON KABUSHIKI KAISHA (JP) 2011-10-18 US disclosed
WO-2010084097-A1 SPIROINDOLINONE DERIVATIVE PRODRUGS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 WO disclosed