SCHEMBL19255881

SCHEMBL19255881

CN1C2CCC1(C(=O)O)C2

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.31
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
GRM4 Q14833 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.31
MTOR P42345 1/20 0.31
GRM1 Q13255 1/20 0.31
PLCB1 Q9NQ66 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL19209218 0.87 FFAR3 (0.33) FFAR3CYP2C19LMNAMTOR
SCHEMBL19257936 0.80 SLC6A9 (0.30) CYP1A2
SCHEMBL15758249 0.80 SLC6A9 (0.30) CYP1A2
SCHEMBL19708773 0.76
SCHEMBL19209345 0.75 CYP1A2 (0.32) FFAR3CYP1A2
SCHEMBL19257640 0.72 POLB (0.32)
SCHEMBL30962480 0.71 SLC6A9 (0.31)
SCHEMBL20221547 0.69 NPSR1 (0.34) CYP1A2LMNA
SCHEMBL17483508 0.67 SLC6A9 (0.35) FFAR3
SCHEMBL19257872 0.66 THRB (0.32)

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
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 WO disclosed