SCHEMBL9851795

SCHEMBL9851795

CCCCCCCCCCCCCCCC(=O)OC[C@@H]1C[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](n2ncc3c(=O)[nH]cnc32)O1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.37
LPAR1 Q92633 2/20 0.35
NLRP3 Q96P20 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
TK2 O00142 2/20 0.34

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
SCHEMBL9851865 1.00 PRKCA (0.37) PRKCALPAR1NLRP3LPAR3TK2
SCHEMBL9851698 0.93 PRKCA (0.42) PRKCATK2
SCHEMBL9851762 0.93 PRKCA (0.42) PRKCATK2
SCHEMBL9851764 0.93 PRKCA (0.42) PRKCATK2
SCHEMBL9851863 0.90 LPAR1 (0.36) LPAR1NLRP3LPAR3TK2
SCHEMBL9851916 0.90 LPAR1 (0.36) LPAR1NLRP3LPAR3TK2
SCHEMBL9851779 0.90 LPAR1 (0.36) LPAR1NLRP3LPAR3TK2
SCHEMBL9851712 0.83 LMNA (0.45) PRKCANLRP3TK2
SCHEMBL9851734 0.83 LMNA (0.45) PRKCANLRP3TK2
SCHEMBL9851850 0.82 TK2 (0.42) TK2

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
EP-0450102-A1 NUCLEOSIDE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (JP) 1991-10-09 EP disclosed