SCHEMBL4229167

SCHEMBL4229167

NCCCCCCOCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 4/20 0.54
GBA1 P04062 3/20 0.54
UGCG Q16739 2/20 0.54
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
HTR1B P28222 1/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 4/20 0.35
HSD17B10 Q99714 4/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 4/20 0.33
HEXA P06865 2/20 0.33
HEXB P07686 2/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL9815003 1.00 GBA2 (0.54) GBA2GBA1UGCGKMT2AMEN1
SCHEMBL4236889 1.00 GBA2 (0.54) GBA2GBA1UGCGKMT2AMEN1
SCHEMBL9853333 0.90 GBA2 (0.45) GBA2GBA1UGCGKMT2AMEN1
SCHEMBL9816053 0.88 GBA1 (0.46) GBA2GBA1UGCGKMT2AMEN1
SCHEMBL13951801 0.85 GBA1 (0.54) GBA2GBA1UGCGKMT2AMEN1
SCHEMBL4239401 0.85 GBA2 (0.54) GBA2GBA1UGCGKMT2AMEN1
SCHEMBL15062346 0.85 GBA2 (0.54) GBA2GBA1UGCGKMT2AMEN1
SCHEMBL9814999 0.85 GBA2 (0.54) GBA2GBA1UGCGKMT2AMEN1
SCHEMBL9815008 0.85 GBA2 (0.60) GBA2GBA1UGCGKMT2AMEN1
SCHEMBL9815021 0.85 GBA1 (0.54) GBA2GBA1UGCGKMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009023337-A2 SUPRAMOLECULAR POLYMERS ASSOCIATIVE TO CARBON NANOTUBES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-02-19 WO disclosed
WO-2009023337-A2 SUPRAMOLECULAR POLYMERS ASSOCIATIVE TO CARBON NANOTUBES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-02-19 WO disclosed
US-20080287638-A1 Supramolecular Polymers Associative to Carbon Nanotubes REYNOLDS JOHN R 2008-11-20 US disclosed
US-20080287638-A1 Supramolecular Polymers Associative to Carbon Nanotubes REYNOLDS JOHN R 2008-11-20 US disclosed
US-20080287638-A1 Supramolecular Polymers Associative to Carbon Nanotubes REYNOLDS JOHN R 2008-11-20 US disclosed