SCHEMBL21095458

SCHEMBL21095458

Cc1cc(C2CCC2)c(C)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ACMSD Q8TDX5 2/20 0.40
FASN P49327 3/20 0.38
NOTUM Q6P988 2/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CAMKK2 Q96RR4 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL12488784 0.85 MAPT (0.38) MAPTACMSDFASNNOTUMCAMKK2
SCHEMBL28012173 0.84 ACMSD (0.45) MAPTACMSDFASNL3MBTL1KDM4E
SCHEMBL15543706 0.83 FASN (0.54) MAPTACMSDFASNKDM4ECAMKK2
SCHEMBL12488182 0.83 MAPT (0.37) MAPTACMSDFASNNOTUML3MBTL1
SCHEMBL31212649 0.82 FASN (0.45) FASNKDM4EHSD17B10
SCHEMBL18432288 0.81 PDK2 (0.40) MAPTFASNKDM4EGAAHPGD
SCHEMBL15544569 0.81 FASN (0.54) FASNCAMKK2
SCHEMBL12488234 0.81 FASN (0.39) MAPTFASNKDM4ECAMKK2
SCHEMBL19086365 0.79 FASN (0.38) MAPTACMSDFASNNOTUML3MBTL1
SCHEMBL28974042 0.79 FASN (0.38) MAPTFASNCAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
EP-2870150-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3 V BIOSCIENCES INC (US) 2019-06-19 EP disclosed