SCHEMBL1685773

SCHEMBL1685773

CCCCc1ccc(C(OP(=O)(O)O)c2ccc(CCCC)cc2CCCC)c(CCCC)c1.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.40
S1PR3 Q99500 11/20 0.40
S1PR4 O95977 8/20 0.40
S1PR2 O95136 4/20 0.40
ENPP2 Q13822 1/20 0.39
S1PR5 Q9H228 5/20 0.38
PLK1 P53350 1/20 0.36
SMPD1 P17405 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1685721 0.87 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL4445850 0.81 SMN1; SMN2 (0.38) S1PR1S1PR3PLK1ALDH1A1
SCHEMBL27778654 0.76 INPPL1 (0.43) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL6480565 0.74 INPPL1 (0.44) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL18241950 0.73 SKP2 (0.46) PLK1ALDH1A1HPGDHSD17B10
SCHEMBL6480560 0.72 HTT (0.41) S1PR1S1PR3S1PR4S1PR2ENPP2
Phosphoric Acid SCHEMBL30064198 0.72 BACE1 (0.51) ENPP2PLK1ALDH1A1HPGDHSD17B10
Phosphoric Acid SCHEMBL27843291 0.72 BACE1 (0.51) ENPP2PLK1ALDH1A1HPGDHSD17B10
SCHEMBL18242313 0.72 SKP2 (0.45) PLK1ALDH1A1HPGDHSD17B10
Pyrophosphoric Acid SCHEMBL472731 0.71 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR2S1PR5

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-2310454-A1 BIODEGRADABLE RESIN COMPOSITION Kao Corporation (JP) 2011-04-20 EP disclosed
EP-2307500-A1 BIODEGRADABLE RESIN COMPOSITION Kao Corporation (JP) 2011-04-13 EP disclosed
WO-2010016619-A1 BIODEGRADABLE RESIN COMPOSITION KAO CORPORATIOIN (JP) 2010-02-11 WO disclosed
WO-2010010961-A1 BIODEGRADABLE RESIN COMPOSITION KAO CORPORATION (JP) 2010-01-28 WO disclosed
US-20050119392-A1 Polypropylene-based composite resin composition IDEMITSU KOSAN CO., LTD. (JP) 2005-06-02 US disclosed