SCHEMBL4368063

SCHEMBL4368063

CCCCC(CC)CNC(=O)NCCCCCCCCCCCCNC(=O)NCC(CC)CCCC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.62
TSHR P16473 3/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTT P42858 2/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPHX2 P34913 2/20 0.46
DPP7 Q9UHL4 1/20 0.45
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA2 P00918 1/20 0.43

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
SCHEMBL5057098 1.00 EPHX1 (0.62) EPHX1TSHRALDH1A1CYP3A4HTT
SCHEMBL14012028 0.98 EPHX1 (0.65) EPHX1TSHRALDH1A1CYP3A4HTT
SCHEMBL14012026 0.97 EPHX1 (0.62) EPHX1TSHRALDH1A1CYP3A4HTT
SCHEMBL9681907 0.95 EPHX1 (0.55) EPHX1TSHRALDH1A1CYP3A4HTT
SCHEMBL14012027 0.91 EPHX1 (0.53) EPHX1TSHRALDH1A1CYP3A4HTT
SCHEMBL3966075 0.91 TSHR (0.59) EPHX1TSHRALDH1A1CYP3A4HTT
SCHEMBL13952005 0.90 EPHX1 (0.51) EPHX1TSHRALDH1A1CYP3A4HTT
SCHEMBL10582338 0.88 TSHR (0.48) EPHX1TSHRALDH1A1CYP3A4HTT
SCHEMBL13952004 0.87 EPHX1 (0.51) EPHX1TSHRALDH1A1CYP3A4HTT
SCHEMBL14669837 0.86 MMP9 (0.55) EPHX1TSHRALDH1A1CYP3A4HTT

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 4 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
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