SCHEMBL27490673

SCHEMBL27490673

CCC(C)(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.61
ESR1 P03372 5/20 0.53
ESR2 Q92731 4/20 0.53
PPARA Q07869 8/20 0.49
PPARD Q03181 5/20 0.49
PPARG P37231 1/20 0.49
CA2 P00918 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5004593 0.90 BLM (0.67) BLMESR1ESR2CA2CAMK2A
SCHEMBL11529482 0.85 PPARA (0.49) BLMPPARAPPARDPPARG
SCHEMBL3270164 0.85 PPARA (0.55) PPARAPPARDPPARG
SCHEMBL11527067 0.84 PPARA (0.54) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL28106001 0.83 BLM (0.54) BLMESR1ESR2PPARAPPARD
SCHEMBL11596247 0.79 BLM (0.67) BLMESR1ESR2CA2CAMK2A
SCHEMBL19183326 0.78 PPARA (0.46) BLMPPARAPPARDPPARGMEN1
SCHEMBL5343038 0.78 BLM (0.56) BLMESR1ESR2CA2CAMK2A
SCHEMBL13809480 0.77 BLM (0.65) BLMESR1ESR2CA2CAMK2A
SCHEMBL5329866 0.76 BLM (0.64) BLMESR1ESR2CA2CAMK2A

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
CN-1211359-C Novel phenylalkoxy-phenyl derivatives ASTRAZENECA AB (SE) 2005-07-20 CN disclosed
CN-1433401-A Novel phenylalkoxy-phenyl derivatives ASTRAZENECA AB (SE) 2003-07-30 CN disclosed
CN-1312795-A Novel 3-arylpropionic acid derivatives and analogs thereof ASTRA ZENECA AKTIEBOLAG (SE) 2001-09-12 CN disclosed