SCHEMBL162980

SCHEMBL162980

CCCCCCCCC(CCC)NCCCC(N)CCN

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 1/20 0.40
S1PR2 O95136 5/20 0.39
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 5/20 0.39
S1PR4 O95977 4/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
OPRM1 P35372 1/20 0.34
DNM1 Q05193 2/20 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
SCHEMBL167528 0.87 SLC6A5 (0.39) RRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL30833190 0.84 S1PR2 (0.37) RRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL28855126 0.83 S1PR2 (0.40) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL31090421 0.83 RRM1 (0.46) RRM1GNAI3GNAO1GNAI1DPP7
SCHEMBL165120 0.82 SPHK1 (0.42) RRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL22205254 0.81 DNM1 (0.44) RRM1GNAI3GNAO1GNAI1DPP7
SCHEMBL9171472 0.81 DNM1 (0.48) RRM1GNAI3GNAO1GNAI1SPHK1
SCHEMBL27603365 0.81 DNM1 (0.48) RRM1GNAI3GNAO1GNAI1SPHK1
SCHEMBL24347480 0.80 EPHX1 (0.48) GNAI3GNAO1GNAI1ALDH1A1OPRM1
SCHEMBL9213862 0.80 EPHX1 (0.48) GNAI3GNAO1GNAI1ALDH1A1OPRM1

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
EP-2291333-A1 PROCESS FOR REDUCING BULKING SLUDGE IN ACTIVATED SLUDGE WASTEWATER TREATMENT Akzo Nobel N.V. (NL) 2011-03-09 EP claimed
EP-2611742-A1 COMPOSITION, USE THEREOF AND PROCESS FOR REDUCING BULKING SLUDGE AND/OR FOAMING AND PREPARATION OF THE COMPOSITION Akzo Nobel Chemicals International B.V. (NL) 2013-07-10 EP disclosed
WO-2012028592-A1 COMPOSITION, USE THEREOF AND PROCESS FOR REDUCING BULKING SLUDGE AND/OR FOAMING AND PREPARATION OF THE COMPOSITION AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2012-03-08 WO disclosed
EP-2291333-A1 PROCESS FOR REDUCING BULKING SLUDGE IN ACTIVATED SLUDGE WASTEWATER TREATMENT Akzo Nobel N.V. (NL) 2011-03-09 EP disclosed
WO-2011000895-A1 POLYMERIC CORROSION INHIBITORS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2011-01-06 WO disclosed