SCHEMBL8711520

SCHEMBL8711520

CCCCCCCCCCCCC/C=C\C(O)C(N)CON=[N+]=[N-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.61
ALDH1A1 P00352 3/20 0.61
S1PR4 O95977 2/20 0.61
S1PR3 Q99500 2/20 0.61
S1PR5 Q9H228 2/20 0.61
S1PR2 O95136 1/20 0.61
TSPO P30536 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
SPHK2 Q9NRA0 6/20 0.57
SPHK1 Q9NYA1 6/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
CETP P11597 4/20 0.57
MAPT P10636 3/20 0.57
GMNN O75496 2/20 0.57
LMNA P02545 2/20 0.57
GLA P06280 2/20 0.57
POLB P06746 2/20 0.57
THRB P10828 2/20 0.57

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
SCHEMBL2398671 1.00 S1PR1 (0.61) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL28591577 0.82 S1PR1 (0.65) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL28271876 0.79 SPHK2 (0.69) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL2721772 0.79 SPHK2 (0.69) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL526072 0.79 SPHK2 (0.69) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL12922735 0.79 SPHK2 (0.69) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL3822887 0.79 SPHK2 (0.69) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL29281204 0.79 SPHK2 (0.69) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL12966636 0.79 SPHK2 (0.69) S1PR1ALDH1A1S1PR4S1PR3S1PR5
SCHEMBL13009766 0.77 SPHK2 (0.67) S1PR1ALDH1A1S1PR4S1PR3S1PR5

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-0724562-B1 SYNTHESIS OF SPHINGOSINES VIRGINIA TECH INTELL PROP (US) 1998-06-03 EP disclosed
EP-0724562-A1 SYNTHESIS OF SPHINGOSINES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1996-08-07 EP disclosed
US-5488166-A Synthesis of sphingosines VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1996-01-30 US disclosed
US-5488167-A Synthesis of sphingosines VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1996-01-30 US disclosed
WO-1995011222-A1 SYNTHESIS OF SPHINGOSINES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1995-04-27 WO disclosed