SCHEMBL8026565

SCHEMBL8026565

C=CCOc1ccc(C=CC(=O)Oc2ccc(OC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56
SLC5A1 P13866 1/20 0.51
SLC5A2 P31639 1/20 0.51
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
FLT3 P36888 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
ELANE P08246 1/20 0.42

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
SCHEMBL8026563 1.00 NPC1 (0.56) NPC1TP53RAB9ASLC5A1SLC5A2
SCHEMBL4533571 0.88 ELANE (0.51) NPC1TP53RAB9ASLC5A1SLC5A2
SCHEMBL17433324 0.88 KMT2A (0.56) TP53KDM4EALDH1A1KMT2AMEN1
SCHEMBL18931471 0.84 KMT2A (0.52) TP53KDM4EKMT2AMEN1MAPT
SCHEMBL16978138 0.84 KMT2A (0.52) TP53KDM4EKMT2AMEN1MAPT
SCHEMBL17754274 0.82 KMT2A (0.44) KMT2AMEN1MAPTELANE
SCHEMBL28981008 0.82 KMT2A (0.61) KMT2AMEN1MAPT
SCHEMBL14275354 0.82 KMT2A (0.61) KMT2AMEN1MAPT
SCHEMBL14300981 0.82 CA12 (0.55) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL28981007 0.82 KMT2A (0.61) KMT2AMEN1MAPT

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
US-6040411-A Low glass temperature organosiloxanes CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-03-21 US disclosed