SCHEMBL8846243

SCHEMBL8846243

CCOC(=O)c1c(-c2ccc(F)cc2)[c]c(C(C)C)nc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.45
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.43
GRM6 O15303 1/20 0.43
PRKCZ Q05513 1/20 0.43
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC10A2 Q12908 1/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS2 P35354 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL2648212 0.80 GCGR (0.62) GCGRALDH1A1L3MBTL1TRPM8GRM6
SCHEMBL15481445 0.77 ALDH1A1 (0.47) GCGRALDH1A1L3MBTL1TRPM8GRM6
SCHEMBL9271574 0.76 PRKCZ (0.50) GCGRALDH1A1L3MBTL1TRPM8GRM6
SCHEMBL3843460 0.75 PRKCZ (0.52) GCGRALDH1A1L3MBTL1TRPM8GRM6
SCHEMBL3206 0.74 GCGR (0.47) GCGRALDH1A1L3MBTL1TRPM8GRM6
SCHEMBL2648227 0.74 GCGR (0.60) GCGRALDH1A1L3MBTL1SLC10A2
SCHEMBL2647286 0.74 GCGR (0.79) GCGR
SCHEMBL2211 0.74 ALDH1A1 (0.47) GCGRALDH1A1L3MBTL1TRPM8GRM6
SCHEMBL2662902 0.74 GCGR (0.55) GCGRALDH1A1L3MBTL1TRPM8GRM6
SCHEMBL3589 0.74 ALDH1A1 (0.44) GCGRALDH1A1L3MBTL1TRPM8GRM6

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-0641762-B1 Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof UBE INDUSTRIES (JP) 1997-05-28 EP disclosed
US-5457225-A Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof UBE INDUSTRIES LTD. (JP) 1995-10-10 US disclosed
EP-0641762-A1 Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof UBE INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed