SCHEMBL7728491

SCHEMBL7728491

CCCCCCCCCCCCC/C=C(/C)C(O)C(N)CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.54
MAPT P10636 5/20 0.54
CYP2D6 P10635 5/20 0.54
SPHK2 Q9NRA0 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
CETP P11597 4/20 0.54
GMNN O75496 3/20 0.54
LMNA P02545 3/20 0.54
POLB P06746 3/20 0.54
BLM P54132 3/20 0.54
UBE2N P61088 3/20 0.54
MAPK1 P28482 3/20 0.54
TP53 P04637 3/20 0.54
CYP1A2 P05177 3/20 0.54
GLA P06280 2/20 0.54
THRB P10828 2/20 0.54
CXCR5 P32302 2/20 0.54
CCR6 P51684 2/20 0.54
THPO P40225 2/20 0.54

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
SCHEMBL13571254 1.00 SPHK1 (0.54) SPHK1MAPTCYP2D6SPHK2MEN1
SCHEMBL13571503 1.00 SPHK1 (0.54) SPHK1MAPTCYP2D6SPHK2MEN1
SCHEMBL13571253 1.00 SPHK1 (0.54) SPHK1MAPTCYP2D6SPHK2MEN1
SCHEMBL13571502 1.00 SPHK1 (0.54) SPHK1MAPTCYP2D6SPHK2MEN1
SCHEMBL13571233 0.87 MAPT (0.44) SPHK1MAPTCYP2D6SPHK2MEN1
SCHEMBL13571234 0.87 MAPT (0.44) SPHK1MAPTCYP2D6SPHK2MEN1
SCHEMBL13571166 0.87 MAPT (0.44) SPHK1MAPTCYP2D6SPHK2MEN1
SCHEMBL13571165 0.87 MAPT (0.44) SPHK1MAPTCYP2D6SPHK2MEN1
SCHEMBL1134639 0.83 SPHK1 (0.54) SPHK1MAPTCYP2D6SPHK2MEN1
SCHEMBL13685823 0.83 SPHK1 (0.54) SPHK1MAPTCYP2D6SPHK2MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012150292-A1 STEREOSELECTIVE SYNTHESIS OF CIS-4-METHYLSPHINGOSINE AND DERIVATIVES THEREOF HUMBOLDT-UNIVERSITÄT ZU BERLIN (DE) 2012-11-08 WO disclosed
EP-2520565-A1 Stereoselective Synthesis of cis-4-Methylsphingosin Humboldt Universität zu Berlin (DE) 2012-11-07 EP disclosed
EP-2520565-A1 Stereoselective Synthesis of cis-4-Methylsphingosin Humboldt Universität zu Berlin (DE) 2012-11-07 EP disclosed
EP-2520565-A1 Stereoselective Synthesis of cis-4-Methylsphingosin Humboldt Universität zu Berlin (DE) 2012-11-07 EP disclosed
US-20020142982-A1 Method for regulating angiogenesis CONNECTICUT, THE UNIVERSITY OF 2002-10-03 US disclosed
WO-2002017899-A2 REGULATION OF ANGIOGENESIS VIA MODULATION OF EDG RECEPTOR MEDIATED SIGNAL TRANSDUCTION COMPRISING SPHINGOSINE-1-PHOSPHATE ADMINISTRATION UNIVERSITY OF CONNECTICUT (US) 2002-03-07 WO disclosed