SCHEMBL9851779

SCHEMBL9851779

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.36
LPAR3 Q9UBY5 3/20 0.36
NLRP3 Q96P20 1/20 0.36
NT5E P21589 1/20 0.35
STING1 Q86WV6 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ENPP2 Q13822 2/20 0.34
TK2 O00142 1/20 0.33

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
SCHEMBL9851916 1.00 LPAR1 (0.36) LPAR1LPAR3NLRP3NT5ESTING1
SCHEMBL9851863 1.00 LPAR1 (0.36) LPAR1LPAR3NLRP3NT5ESTING1
SCHEMBL9851865 0.90 PRKCA (0.37) LPAR1LPAR3NLRP3TK2
SCHEMBL9851795 0.90 PRKCA (0.37) LPAR1LPAR3NLRP3TK2
SCHEMBL9851715 0.84 ATG7 (0.44) NT5E
SCHEMBL9851807 0.84 ATG7 (0.44) NT5E
SCHEMBL9851698 0.82 PRKCA (0.42) STING1ALDH1A1TK2
SCHEMBL9851764 0.82 PRKCA (0.42) STING1ALDH1A1TK2
SCHEMBL9851850 0.82 TK2 (0.42) TK2
SCHEMBL9851753 0.82 TK2 (0.46) 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