SCHEMBL5138334

SCHEMBL5138334

C=C1C(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)=C(c2ccc(C)cc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
PPARG P37231 7/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPK1 P28482 1/20 0.40
MPI P34949 1/20 0.40
RAB9A P51151 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5138659 1.00 TSHR (0.43) TSHRPPARGALDH1A1MAPTSMN1; SMN2
SCHEMBL5138337 0.87 MEN1 (0.54) TSHRPPARGALDH1A1MAPTSMN1; SMN2
SCHEMBL5139020 0.87 MEN1 (0.54) TSHRPPARGALDH1A1MAPTSMN1; SMN2
SCHEMBL5138606 0.84 ALDH1A1 (0.51) TSHRPPARGALDH1A1MAPTSMN1; SMN2
SCHEMBL5138100 0.76 PPARG (0.56) TSHRPPARGALDH1A1MAPTSMN1; SMN2
SCHEMBL5138683 0.75 FFAR1 (0.33) SMN1; SMN2MEN1KMT2AMAPK1FGFR1
SCHEMBL5138097 0.74 MAPT (0.47) TSHRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL16130571 0.71 CYP3A4 (0.59) TSHRALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL15430835 0.71 CYP3A4 (0.59) TSHRALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL14926636 0.68 TDP1 (0.53) TSHRALDH1A1MAPTSMN1; SMN2MEN1

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