SCHEMBL13996379

SCHEMBL13996379

CCCCCCCCCCCCCCCCCCOC[C@@H](O)COC1CCCCO1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
HTT P42858 1/20 0.49
LPAR5 Q9H1C0 4/20 0.47
SPHK1 Q9NYA1 2/20 0.42
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
P2RY10 O00398 1/20 0.35
LPAR1 Q92633 6/20 0.35
LPAR3 Q9UBY5 6/20 0.35
LPAR2 Q9HBW0 4/20 0.35
LPAR6 P43657 3/20 0.35
LPAR4 Q99677 3/20 0.35
SPHK2 Q9NRA0 1/20 0.35

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
SCHEMBL8455830 0.87 TBXAS1 (0.37) USP2HTTALDH1A1MEN1KMT2A
SCHEMBL9178057 0.86 USP2 (0.48) USP2HTTLPAR5SPHK1ALDH1A1
SCHEMBL13996372 0.85 LPAR1 (0.42) USP2HTTLPAR5ALDH1A1TDP1
SCHEMBL9679186 0.83 MEN1 (0.39) HTTMEN1KMT2A
SCHEMBL25339412 0.82 KMT2A (0.45) USP2HTTSPHK1ALDH1A1TDP1
SCHEMBL14830427 0.82 KMT2A (0.45) USP2HTTSPHK1ALDH1A1TDP1
SCHEMBL25341266 0.82 KMT2A (0.45) USP2HTTSPHK1ALDH1A1TDP1
SCHEMBL14830426 0.82 KMT2A (0.45) USP2HTTSPHK1ALDH1A1TDP1
SCHEMBL13996380 0.82 LPAR1 (0.42) USP2HTTLPAR5ALDH1A1TDP1
SCHEMBL10593703 0.81 LPAR1 (0.38) USP2HTTLPAR5ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465817-B2 Inositolized phospholipids CHARITE-UNIVERSITATS MEDIZIN BERLIN (DE) 2008-12-16 US disclosed