SCHEMBL27701271

SCHEMBL27701271

CCC(=O)c1ccc2c(CC)nn(C3CCCC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.42
TEAD4 Q15561 1/20 0.42
TEAD2 Q15562 1/20 0.42
SLC22A12 Q96S37 2/20 0.41
PDE4A P27815 8/20 0.40
PDE4B Q07343 8/20 0.40
PDE4C Q08493 8/20 0.40
PDE4D Q08499 8/20 0.40
ESR1 P03372 1/20 0.39
MAPT P10636 2/20 0.39
HCAR3 P49019 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL3176719 0.89 TEAD1 (0.53) TEAD1TEAD4TEAD2SLC22A12PDE4A
SCHEMBL3604069 0.89 TEAD1 (0.43) TEAD1TEAD4TEAD2SLC22A12PDE4A
SCHEMBL3604745 0.88 TEAD1 (0.42) TEAD1TEAD4TEAD2SLC22A12PDE4A
SCHEMBL7970490 0.88 TEAD1 (0.52) TEAD1TEAD4TEAD2SLC22A12PDE4A
SCHEMBL7379307 0.86 TEAD1 (0.53) TEAD1TEAD4TEAD2SLC22A12PDE4A
SCHEMBL3605146 0.86 MERTK (0.46) TEAD1TEAD4TEAD2SLC22A12PDE4A
SCHEMBL7288655 0.85 SLC22A12 (0.43) TEAD1TEAD4TEAD2SLC22A12PDE4A
SCHEMBL7981717 0.83 MERTK (0.44) TEAD1TEAD4TEAD2SLC22A12PDE4A
SCHEMBL7970370 0.82 PDE4A (0.44) TEAD1TEAD4TEAD2SLC22A12PDE4A
SCHEMBL3593732 0.81 MAPT (0.41) TEAD1TEAD4TEAD2SLC22A12MAPT

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-101166733-A Pyrazole derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-04-23 CN disclosed