SCHEMBL28339508

SCHEMBL28339508

C[CH]CCCCCCCCCP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.56
LPAR2 Q9HBW0 1/20 0.56
TYMS P04818 1/20 0.50
BBOX1 O75936 2/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
S1PR2 O95136 6/20 0.41
S1PR1 P21453 6/20 0.41
S1PR3 Q99500 6/20 0.41
S1PR4 O95977 5/20 0.41
S1PR5 Q9H228 2/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LPAR1 Q92633 1/20 0.40
BTN3A1 O00481 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
SCHEMBL14957292 0.98 TYMS (0.52) LPAR3LPAR2TYMSBBOX1LMNA
SCHEMBL483299 0.90
SCHEMBL21385310 0.79
SCHEMBL9702784 0.79 TYMS (0.79) LPAR3LPAR2TYMSBBOX1LMNA
SCHEMBL7902534 0.79 TYMS (0.79) LPAR3LPAR2TYMSBBOX1LMNA
SCHEMBL1636300 0.79 TYMS (0.79) LPAR3LPAR2TYMSBBOX1LMNA
SCHEMBL1981026 0.79 TYMS (0.79) LPAR3LPAR2TYMSBBOX1LMNA
SCHEMBL3211535 0.79 TYMS (0.79) LPAR3LPAR2TYMSBBOX1LMNA
SCHEMBL767546 0.79 TYMS (0.79) LPAR3LPAR2TYMSBBOX1LMNA
SCHEMBL9701682 0.79 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-110582576-A Substrate with modified surface reactivity and stain resistance in biological reactions 宽腾矽公司 2019-12-17 CN claimed