SCHEMBL8633657

SCHEMBL8633657

CCN(CCO)c1cccc(C)c1.CCN(CCO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 9/20 0.45
LMNA P02545 3/20 0.45
USP2 O75604 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 3/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PSMD14 O00487 1/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 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
SCHEMBL26645950 0.95 ALDH1A1 (0.50) GFERALDH1A1CYP3A4KMT2AMEN1
SCHEMBL29872680 0.95 ALDH1A1 (0.50) GFERALDH1A1CYP3A4KMT2AMEN1
SCHEMBL139721 0.95 ALDH1A1 (0.50) GFERALDH1A1CYP3A4KMT2AMEN1
Magnesium SCHEMBL30522001 0.93 ALDH1A1 (0.49) GFERALDH1A1CYP3A4KMT2AMEN1
SCHEMBL10909579 0.93 ALDH1A1 (0.49) GFERALDH1A1CYP3A4KMT2AMEN1
SCHEMBL18422578 0.91 GFER (0.44) GFERALDH1A1CYP3A4KMT2AMEN1
Sulfuric Acid SCHEMBL9311046 0.88 CYP3A4 (0.50) GFERALDH1A1CYP3A4KMT2AMEN1
SCHEMBL29431930 0.86 MAPT (0.44) GFERALDH1A1CYP3A4KMT2AMEN1
SCHEMBL632177 0.86 MAPT (0.44) GFERALDH1A1CYP3A4KMT2AMEN1
SCHEMBL133939 0.86 TSHR (0.55) ALDH1A1CYP3A4KMT2AMEN1MAPT

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
EP-0655472-B1 Microwave-polymerizable isocyanate/epoxy resins for heavy-duty applications ENIRICERCHE SPA (IT) 1998-07-29 EP disclosed
EP-0655472-A1 Microwave-polymerizable isocyanate/epoxy resins for heavy-duty applications ENIRICERCHE S.p.A. (IT) 1995-05-31 EP disclosed