SCHEMBL4448682

SCHEMBL4448682

CCCCOC(=O)NCCc1ccc(O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
HSD17B10 Q99714 3/20 0.62
TRPV1 Q8NER1 3/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
HPGD P15428 3/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 2/20 0.58
BLM P54132 2/20 0.58
HIF1A Q16665 2/20 0.58
ALDH1A1 P00352 2/20 0.58
PTGS1 P23219 1/20 0.58
NPC1 O15118 1/20 0.55
GMNN O75496 1/20 0.55
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL28557038 0.86 MAPT (0.65) MAPTHSD17B10TRPV1KMT2AMEN1
SCHEMBL4769744 0.85 KMT2A (0.57) KMT2AMEN1KDM4ELMNANPC1
SCHEMBL8552292 0.83 SPR (0.56) TRPV1KMT2AMEN1HPGDLMNA
SCHEMBL31542971 0.82 MAPT (0.56) MAPTHSD17B10TRPV1KMT2AMEN1
SCHEMBL21382248 0.82 KMT2A (0.57) KMT2AMEN1NPC1RAB9AACHE
SCHEMBL10069008 0.81 MAPT (0.55) MAPTHSD17B10TRPV1KMT2AMEN1
SCHEMBL8585756 0.81 KMT2A (0.56) KMT2AMEN1NPC1RAB9AACHE
SCHEMBL5110887 0.80 NPC1 (0.63) MAPTKMT2AMEN1HPGDLMNA
SCHEMBL7201386 0.80 CNR2 (0.58) HSD17B10KMT2AKDM4ELMNAHIF1A
SCHEMBL27887140 0.80 KMT2A (0.55) MAPTKMT2AMEN1ALDH1A1NPC1

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-2125195-A2 ANALYSIS KIT COMPRISING AT LEAST TWO MOLECULARLY IMPRINTED POLYMERS AND AT LEAST ONE MARKER, AND METHOD OF ANALYSIS USING SAME Polyintell (FR) 2009-12-02 EP disclosed
WO-2008132384-A2 ANALYSIS KIT COMPRISING AT LEAST TWO MOLECULARLY IMPRINTED POLYMERS AND AT LEAST ONE MARKER, AND METHOD OF ANALYSIS USING SAME POLYINTELL (FR) 2008-11-06 WO disclosed