SCHEMBL8023960

SCHEMBL8023960

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 2/20 0.42
ELANE P08246 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
ATM Q13315 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL17433316 0.88 KMT2A (0.57) KMT2ATHRBELANEMAPTALDH1A1
SCHEMBL4533571 0.87 ELANE (0.51) KMT2AMEN1ELANEMAPTPOLB
SCHEMBL17433325 0.84 KMT2A (0.54) KMT2ATHRBELANEMAPTALDH1A1
SCHEMBL11023299 0.80 ADRB2 (0.53) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL8417675 0.80 MEN1 (0.67) KMT2AMEN1THRBMAPTPOLB
SCHEMBL7259849 0.79 ELANE (0.51) KMT2AELANEMAPTPOLBALDH1A1
SCHEMBL6931905 0.79 ELANE (0.51) KMT2AELANEMAPTPOLBALDH1A1
SCHEMBL16541705 0.79 THRB (0.43) KMT2AMEN1THRBPOLBLMNA
SCHEMBL7924912 0.79 POLB (0.49) KMT2AMEN1THRBMAPTPOLB
SCHEMBL12375081 0.78 MAPT (0.52) KMT2AMEN1THRBELANEMAPT

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
US-6040411-A Low glass temperature organosiloxanes CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-03-21 US disclosed
EP-0887399-A1 Silicones having a low glass transition temperature Consortium für elektrochemische Industrie GmbH (DE) 1998-12-30 EP disclosed