SCHEMBL6944486

SCHEMBL6944486

C[C@H]1CC(C(=O)O)CC[C@@]1(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.44
GRM3 Q14832 3/20 0.44
GRM4 Q14833 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
LMNA P02545 1/20 0.44
GRM5 P41594 1/20 0.44
MTOR P42345 1/20 0.44
GRM1 Q13255 1/20 0.44
PLCB1 Q9NQ66 1/20 0.44
TSHR P16473 1/20 0.44
APLNR P35414 1/20 0.43
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC6A4 P31645 1/20 0.35
FFAR3 O14843 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
SCHEMBL151899 1.00 GRM2 (0.44) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL6944495 1.00 GRM2 (0.44) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL353162 1.00 GRM2 (0.44) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL353161 1.00 GRM2 (0.44) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL9134965 1.00 GRM2 (0.44) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL8734101 0.86 GRM2 (0.35) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL974790 0.82 APLNR (0.38) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL9513963 0.81 GRM2 (0.44) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL17629023 0.80 FFAR3 (0.36) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL3152534 0.79

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551685-B1 Poly(alkylene cyclohexane dicarboxylate)-(alkylene terephthalate)copolyesters and compositions thereof GEN ELECTRIC (US) 2003-04-16 EP disclosed
US-5399661-A Poly(alkylene cyclohexanedicarboxylate)-(alkylene terephthalate) copolyesters GENERAL ELECTRIC COMPANY (US) 1995-03-21 US disclosed
EP-0551685-A1 Poly(alkylene cyclohexane dicarboxylate)-(alkylene terephthalate)copolyesters and compositions thereof GENERAL ELECTRIC COMPANY (US) 1993-07-21 EP disclosed