SCHEMBL7924701

SCHEMBL7924701

CCCCOC(COCC(Cc1ccccc1)OCCCC)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
CTSK P43235 3/20 0.41
PLA2G10 O15496 2/20 0.41
PLA2G2A P14555 2/20 0.41
LTA4H P09960 2/20 0.41
CSNK1E P49674 1/20 0.40
PLA2G1B P04054 1/20 0.39
PLA2G5 P39877 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TLR2 O60603 2/20 0.38

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
SCHEMBL4923137 0.86 CSNK1E (0.45) ALDH1A1CTSKPLA2G10PLA2G2ALTA4H
SCHEMBL7924694 0.83 ALDH1A1 (0.44) ALDH1A1HPGDCTSKLTA4HCSNK1E
SCHEMBL3275777 0.82 LTA4H (0.46) ALDH1A1HPGDLTA4HCSNK1ECYP3A4
SCHEMBL6251205 0.81 CSNK1E (0.45) CTSKPLA2G10PLA2G2ALTA4HCSNK1E
SCHEMBL15412661 0.81 TDP1 (0.46) ALDH1A1LTA4HCYP3A4TSHRMAPK1
SCHEMBL7916911 0.80 ALDH1A1 (0.46) ALDH1A1HPGDCTSKLTA4HCSNK1E
SCHEMBL13725562 0.79 CSNK1E (0.43) CTSKPLA2G10PLA2G2ALTA4HCSNK1E
SCHEMBL10512424 0.79 MEN1 (0.46) ALDH1A1HPGDLTA4HCSNK1ECYP3A4
SCHEMBL15412660 0.78 TDP1 (0.43) LTA4HTDP1L3MBTL1TLR2
SCHEMBL659921 0.78 ALDH1A1 (0.55) ALDH1A1HPGDCYP3A4TSHRMAPK1

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
US-6231784-B1 FOR EXTRACTION OF METAL VALUES, PARTICULARLY COPPER VALUES, IN EXTRACTION FROM AQUEOUS SOLUTIONS, IN WHICH EXTRACTANT AND MODIFIERS ARE EMPLOYED IN ORGANIC SOLVENT PHASE, SOLVENT BEING WATER INSOLUBLE, WATER IMMISCIBLE HYDROCARBON HENKEL CORPORATION 2001-05-15 US disclosed
WO-1999054516-A1 MODIFIERS FOR ALDOXIME EXTRACTANT OF METAL VALUES COGNIS CORPORATION (US) 1999-10-28 WO disclosed
EP-0809714-A4 MODIFIERS FOR ALDOXIME EXTRACTANT OF METAL VALUES HENKEL CORP (US) 1998-05-06 EP disclosed
EP-0809714-A1 MODIFIERS FOR ALDOXIME EXTRACTANT OF METAL VALUES HENKEL CORPORATION (US) 1997-12-03 EP disclosed
WO-1996025525-A1 MODIFIERS FOR ALDOXIME EXTRACTANT OF METAL VALUES HENKEL CORPORATION (US) 1996-08-22 WO disclosed