SCHEMBL20171663

SCHEMBL20171663

CCC1CCC(C)C(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.36
▸ PLAT P00750 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GRM2 Q14416 2/20 0.34
▸ GRM3 Q14832 2/20 0.34
▸ GABRR1 P24046 5/20 0.33
▸ GABRR2 P28476 1/20 0.33
▸ PEPD P12955 1/20 0.33
▸ PPP5C P53041 1/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ SLC1A2 P43004 2/20 0.31
▸ SLC1A1 P43005 2/20 0.31
▸ CES2 O00748 1/20 0.30
▸ FFAR1 O14842 1/20 0.30

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
SCHEMBL16607300 0.86 PLG (0.38) PLGPLATLMNAGRM2GRM3
SCHEMBL2816981 0.85 PLG (0.40) PLGPLATLMNAGRM2GRM3
SCHEMBL18913137 0.83 GRM2 (0.36) PLGPLATLMNAGRM2GRM3
SCHEMBL29282868 0.83 PLG (0.39) PLGPLATLMNAGRM2GRM3
SCHEMBL29282870 0.83 PLG (0.39) PLGPLATLMNAGRM2GRM3
SCHEMBL29282898 0.83 PLG (0.39) PLGPLATLMNAGRM2GRM3
SCHEMBL30922239 0.83 PLG (0.39) PLGPLATLMNAGRM2GRM3
SCHEMBL11846223 0.78 GABRR1 (0.42) PLGPLATLMNAGRM2GRM3
SCHEMBL12165165 0.78 PPM1B (0.39) —
SCHEMBL14186720 0.78 — —

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-3068782-B1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-05-23 — — EP disclosed
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