SCHEMBL5138337

SCHEMBL5138337

COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C1=C(c2ccc(C)cc2)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
LMNA P02545 4/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
KDM4E B2RXH2 3/20 0.54
NPC1 O15118 2/20 0.54
HSP90AA1 P07900 2/20 0.54
MAPK1 P28482 2/20 0.54
MPI P34949 2/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 1/20 0.54
HKDC1 Q2TB90 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
FGFR1 P11362 8/20 0.53
FGFR2 P21802 8/20 0.53

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
SCHEMBL5139020 1.00 MEN1 (0.54) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL5138334 0.87 TSHR (0.43) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL5138659 0.87 TSHR (0.43) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL9904567 0.78 MAPT (0.78) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL7538581 0.75 PPARG (0.72) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL5138097 0.75 MAPT (0.47) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL14231954 0.75 FGFR1 (0.57) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL14231952 0.73 FGFR1 (0.77) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL16130571 0.72 CYP3A4 (0.59) KMT2ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL15430835 0.72 CYP3A4 (0.59) KMT2ALMNAMAPTSMN1; SMN2ALDH1A1

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