SCHEMBL8734101

SCHEMBL8734101

CC1(C)CCCCC1(C(=O)O)C(=O)O.CC1CC(C(=O)O)CCC1(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.35
GRM3 Q14832 2/20 0.35
GRM4 Q14833 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
LMNA P02545 1/20 0.35
GRM5 P41594 1/20 0.35
MTOR P42345 1/20 0.35
GRM1 Q13255 1/20 0.35
PLCB1 Q9NQ66 1/20 0.35
TSHR P16473 1/20 0.35
APLNR P35414 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
SCHEMBL6944495 0.86 GRM2 (0.44) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL151899 0.86 GRM2 (0.44) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL353161 0.86 GRM2 (0.44) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL353162 0.86 GRM2 (0.44) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL9134965 0.86 GRM2 (0.44) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL6944486 0.86 GRM2 (0.44) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL8639606 0.80
SCHEMBL8640668 0.80
SCHEMBL8640662 0.80
SCHEMBL7745103 0.75 PEPD (0.39) LMNA

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-0656335-B1 Process for the production of hydroxy compounds by hydrogenation of oxygenates EASTMAN CHEM CO (US) 1998-07-29 EP claimed