SCHEMBL29020973

SCHEMBL29020973

CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)Nc1ccc(C#N)cn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 1/20 0.45
LPAR3 Q9UBY5 12/20 0.44
LPAR1 Q92633 6/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
S1PR4 O95977 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 2/20 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
SCHEMBL29020978 1.00 LPAR5 (0.45) LPAR5LPAR3LPAR1KDM4EALDH1A1
SCHEMBL24340436 0.86 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL24340435 0.86 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL29020827 0.75 ALDH1A1 (0.45) LPAR5LPAR3LPAR1KDM4EALDH1A1
SCHEMBL29020828 0.75 ALDH1A1 (0.45) LPAR5LPAR3LPAR1KDM4EALDH1A1
SCHEMBL29020969 0.74 LPAR5 (0.45) LPAR5LPAR3LPAR1
SCHEMBL29020971 0.74 LPAR5 (0.45) LPAR5LPAR3LPAR1
SCHEMBL29020855 0.74 LPAR5 (0.44) LPAR5LPAR3LPAR1S1PR4S1PR1
SCHEMBL29020858 0.74 LPAR5 (0.44) LPAR5LPAR3LPAR1S1PR4S1PR1
SCHEMBL25335926 0.72 LPAR3 (0.60) LPAR5LPAR3LPAR1S1PR4S1PR1

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-116322759-A Phospholipid compounds and uses thereof 吉利德科学公司 2023-06-23 CN disclosed