SCHEMBL28012173

SCHEMBL28012173

Cc1cc(C2CCCCC2)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.45
CAMKK2 Q96RR4 6/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
MAPT P10636 2/20 0.40
FASN P49327 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KMO O15229 2/20 0.39
CAMKK1 Q8N5S9 3/20 0.39
S1PR1 P21453 1/20 0.39
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL15543706 0.85 FASN (0.54) ACMSDCAMKK2MAPTFASNKDM4E
SCHEMBL21095458 0.84 MAPT (0.41) ACMSDCAMKK2PTGDR2MAPTFASN
SCHEMBL3810008 0.83 ACMSD (0.50) ACMSDCAMKK2PTGDR2MAPTKDM4E
SCHEMBL15544569 0.83 FASN (0.54) CAMKK2FASN
SCHEMBL12488234 0.83 FASN (0.39) CAMKK2MAPTFASNKDM4E
SCHEMBL28974042 0.81 FASN (0.38) CAMKK2MAPTFASN
SCHEMBL12488784 0.80 MAPT (0.38) ACMSDCAMKK2PTGDR2MAPTFASN
SCHEMBL12488182 0.79 MAPT (0.37) ACMSDCAMKK2PTGDR2MAPTFASN
SCHEMBL18304696 0.78 PTGDR2 (0.57) ACMSDCAMKK2PTGDR2CAMKK1
SCHEMBL31212649 0.78 FASN (0.45) FASNKDM4E

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
CN-104582703-A H4 receptor inhibitors for treating tinnitus SENSORION 2015-04-29 CN disclosed