SCHEMBL29169752

SCHEMBL29169752

CCCCCCCCCOC[C@@H](O)[C@H](CO)OCCCCCCCCC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.62
SPHK1 Q9NYA1 1/20 0.56
HTT P42858 2/20 0.51
MGAM O43451 3/20 0.49
LPAR1 Q92633 5/20 0.47
LPAR3 Q9UBY5 5/20 0.47
LPAR2 Q9HBW0 2/20 0.47
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
LPAR5 Q9H1C0 2/20 0.45
PLA2G2C Q5R387 1/20 0.44
LPAR6 P43657 1/20 0.41
LPAR4 Q99677 1/20 0.41

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
SCHEMBL29169777 1.00 USP2 (0.62) USP2SPHK1HTTMGAMLPAR1
SCHEMBL11415242 0.98 USP2 (0.61) USP2SPHK1HTTMGAMLPAR1
SCHEMBL14747652 0.95 USP2 (0.55) USP2SPHK1HTTMGAMLPAR1
SCHEMBL10990567 0.95 USP2 (0.55) USP2SPHK1HTTMGAMLPAR1
SCHEMBL29169750 0.90 USP2 (0.56) USP2SPHK1HTTMGAMLPAR1
SCHEMBL29169831 0.90 USP2 (0.56) USP2SPHK1HTTMGAMLPAR1
SCHEMBL1818619 0.89 USP2 (0.53) USP2SPHK1HTTMGAMLPAR1
SCHEMBL7195957 0.89 USP2 (0.54) USP2SPHK1HTTMGAMLPAR1
SCHEMBL7195958 0.89 USP2 (0.50) USP2SPHK1HTTMGAMLPAR1
SCHEMBL29169811 0.88 USP2 (0.61) USP2SPHK1HTTMGAMLPAR1

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
CN-117480150-A Pelargonic acid ester 赢创运营有限公司 2024-01-30 CN disclosed