SCHEMBL9729414

SCHEMBL9729414

O=C(O)C1C(=O)C[C@@H]2[C@@H](C(=O)O)[C@H](O)C[C@H]12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.33
GRM3 Q14832 4/20 0.33
GRM8 O00222 2/20 0.33
GRM4 Q14833 1/20 0.33
GRM6 O15303 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 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
SCHEMBL10396183 0.79 GRM8 (0.32) GRM2GRM3GRM8GRM6
SCHEMBL9729624 0.72 ALDH1A1 (0.37)
SCHEMBL9729630 0.72 ALDH1A1 (0.37)
SCHEMBL11467630 0.71 POLB (0.34) GRM2GRM3GRM8GRM4GRM6
SCHEMBL28764921 0.67 ALDH1A1 (0.42) GRM2GRM3GRM8GRM4GRM6
SCHEMBL3423128 0.67 RAB9A (0.35) TDP1POLB
SCHEMBL14540470 0.67 RAB9A (0.35) TDP1POLB
SCHEMBL4069733 0.67 POLB (0.39) GRM2GRM3GRM8GRM6TDP1
SCHEMBL3464997 0.67 POLB (0.39) GRM2GRM3GRM8GRM6TDP1
SCHEMBL16756317 0.67 POLB (0.39) GRM2GRM3GRM8GRM6TDP1

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
US-5102793-A STEREOSPECIFIC KETO REDUCTION OF BICYCLOOCTANDIONE-CARBOXYLIC ACID ESTERS BY MICROORGANISMS SCHERING AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed