SCHEMBL6654563

SCHEMBL6654563

CCCC(CC)OCCOCC(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.30
LPAR1 Q92633 4/20 0.30
LPAR3 Q9UBY5 4/20 0.30
LPAR2 Q9HBW0 1/20 0.30

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
SCHEMBL22919271 0.85 PRKCA (0.33)
SCHEMBL13672365 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL27255916 0.81 HSD17B10 (0.33) HSD17B10
SCHEMBL17206868 0.81 HSD17B10 (0.55) HSD17B10LPAR1LPAR3LPAR2
SCHEMBL21539301 0.81 HSD17B10 (0.32) HSD17B10LPAR1LPAR3LPAR2
SCHEMBL13672332 0.78 TSHR (0.41) CYP3A4LPAR1LPAR3LPAR2
SCHEMBL13672304 0.78 PRKCA (0.30)
SCHEMBL27268289 0.76 CYP3A4 (0.38) CYP3A4ALDH1A1
SCHEMBL358536 0.76 MEN1 (0.45) CYP3A4ALDH1A1
SCHEMBL3308426 0.76

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
EP-1471940-A2 INACTIVATION OF WEST NILE VIRUS AND PLASMODIUM FALCIPARUM USING ALLOXAZINE-DERIVATING PHOTOSENSITISERS Gambro, Inc. (US) 2004-11-03 EP disclosed
WO-2002055021-A9 GLYCOPOLYMERS AND FREE RADICAL POLYMERIZATION METHODS UNIV EMORY (US) 2004-01-29 WO disclosed
WO-2003063902-A2 INACTIVATION OF WEST NILE VIRUS AND PLASMODIUM FALCIPARUM USING ALLOXAZINE-DERIVATING PHOTOSENSITIZERS GAMBRO, INC. (US) 2003-08-07 WO disclosed
WO-2003057253-A1 OXYGEN-ENHANCED PATHOGEN INACTIVATION GAMBRO, INC. (US) 2003-07-17 WO disclosed