SCHEMBL5138100

SCHEMBL5138100

C=C1C(C(=O)OCC)=C(c2ccccc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.56
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPK1 P28482 1/20 0.50
MPI P34949 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FGFR1 P11362 2/20 0.49

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
SCHEMBL5138606 0.92 ALDH1A1 (0.51) PPARGKDM4ENPC1ALDH1A1LMNA
SCHEMBL5139100 0.85 PPARG (0.77) PPARGKDM4ENPC1ALDH1A1LMNA
SCHEMBL7538581 0.84 PPARG (0.72) PPARGKDM4ENPC1ALDH1A1LMNA
SCHEMBL14000243 0.78 PPARG (0.53) PPARGKDM4ENPC1ALDH1A1LMNA
SCHEMBL17969781 0.78 ALDH1A1 (0.78) PPARGKDM4ENPC1ALDH1A1LMNA
SCHEMBL5138388 0.77 FGFR1 (0.65) ALDH1A1LMNASMN1; SMN2NPSR1MEN1
SCHEMBL8359086 0.76 PPARG (0.63) PPARGKDM4ENPC1ALDH1A1LMNA
SCHEMBL5138334 0.76 TSHR (0.43) PPARGKDM4ENPC1ALDH1A1LMNA
SCHEMBL3576647 0.75 PPARG (0.76) PPARGKDM4ENPC1ALDH1A1LMNA
SCHEMBL3570952 0.74 PPARG (0.74) PPARGKDM4ENPC1ALDH1A1LMNA

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
WO-2008037604-A1 NOVEL POLYBENZOFULVENE DERIVATIVES, SYNTHESIS AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2008-04-03 WO disclosed