SCHEMBL5138683

SCHEMBL5138683

C=C1C(C(=O)O)=C(c2ccc(C)cc2)c2c(CCOCCOCCOC)cccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
FGFR1 P11362 2/20 0.31
FGFR2 P21802 2/20 0.31
FGFR4 P22455 2/20 0.31
FGFR3 P22607 2/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
SRC P12931 1/20 0.31
MCL1 Q07820 2/20 0.31
BAD Q92934 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
LTB4R2 Q9NPC1 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
SCHEMBL5138334 0.75 TSHR (0.43) FGFR1FGFR2FGFR4FGFR3MAPK1
SCHEMBL5138659 0.75 TSHR (0.43) FGFR1FGFR2FGFR4FGFR3MAPK1
SCHEMBL5139020 0.67 MEN1 (0.54) FGFR1FGFR2FGFR4FGFR3MAPK1
SCHEMBL5138337 0.67 MEN1 (0.54) FGFR1FGFR2FGFR4FGFR3MAPK1
SCHEMBL22832401 0.65 TSHR (0.53) MAPK1KMT2ASMN1; SMN2
SCHEMBL7300058 0.63 ALDH1A1 (0.38) SMN1; SMN2
SCHEMBL8385957 0.63 ALDH1A1 (0.38) SMN1; SMN2
SCHEMBL5138097 0.62 MAPT (0.47) MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL5138606 0.60 ALDH1A1 (0.51) FGFR1FGFR2FGFR4FGFR3MAPK1
P-Xylene SCHEMBL10587089 0.60 ALDH1A1 (0.44) POLBSMN1; SMN2

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