SCHEMBL28638141

SCHEMBL28638141

CC(=O)CCCCCP(=O)(O)O.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.54
LPAR2 Q9HBW0 1/20 0.54
PAOX Q6QHF9 1/20 0.48
TYMS P04818 1/20 0.48
BBOX1 O75936 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
S1PR2 O95136 3/20 0.39
S1PR4 O95977 3/20 0.39
S1PR1 P21453 3/20 0.39
S1PR3 Q99500 3/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL15305182 0.95 TYMS (0.52) LPAR3LPAR2PAOXTYMSBBOX1
SCHEMBL3469956 0.88 TYMS (0.55) LPAR3LPAR2PAOXTYMSBBOX1
SCHEMBL3469239 0.78
SCHEMBL8421741 0.77 PAOX (0.72) PAOXLMNANFKB1PMP22
SCHEMBL7902534 0.77 TYMS (0.79) LPAR3LPAR2TYMSBBOX1LMNA
SCHEMBL3626142 0.77 PAOX (0.72) PAOXLMNANFKB1PMP22
SCHEMBL767546 0.77 TYMS (0.79) LPAR3LPAR2TYMSBBOX1LMNA
SCHEMBL21818217 0.77 PAOX (0.72) PAOXLMNANFKB1PMP22
SCHEMBL1636300 0.77 TYMS (0.79) LPAR3LPAR2TYMSBBOX1LMNA
SCHEMBL9701682 0.77 TYMS (0.79) LPAR3LPAR2TYMSBBOX1LMNA

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-108289794-B Dental adhesive 可乐丽则武齿科株式会社 2021-10-01 CN disclosed