SCHEMBL27969766

SCHEMBL27969766

C=CCC=CCC=CCC=CCC=CCCCCC/C=C\C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.51
KAT2B Q92831 1/20 0.51
KAT5 Q92993 1/20 0.51
KAT8 Q9H7Z6 1/20 0.51
ALDH1A1 P00352 7/20 0.44
F7 P08709 5/20 0.44
F3 P13726 5/20 0.44
CYP19A1 P11511 3/20 0.44
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
OXER1 Q8TDS5 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
FFAR1 O14842 2/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 2/20 0.44
PTGS1 P23219 2/20 0.44

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
SCHEMBL1583896 1.00 EP300 (0.51) EP300KAT2BKAT5KAT8ALDH1A1
SCHEMBL9281262 0.86 MAPT (0.58) ALDH1A1PPARGPPARAMAPTLMNA
SCHEMBL5378935 0.86 MAPT (0.58) ALDH1A1PPARGPPARAMAPTLMNA
SCHEMBL2491627 0.86 MAPT (0.58) ALDH1A1PPARGPPARAMAPTLMNA
SCHEMBL2854557 0.86 MAPT (0.58) ALDH1A1PPARGPPARAMAPTLMNA
SCHEMBL9735318 0.86 MAPT (0.58) ALDH1A1PPARGPPARAMAPTLMNA
SCHEMBL15284588 0.86 MAPT (0.58) ALDH1A1PPARGPPARAMAPTLMNA
SCHEMBL2854551 0.86 MAPT (0.58) ALDH1A1PPARGPPARAMAPTLMNA
SCHEMBL5378939 0.86 MAPT (0.58) ALDH1A1PPARGPPARAMAPTLMNA
SCHEMBL27896983 0.86 MAPT (0.58) ALDH1A1PPARGPPARAMAPTLMNA

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
CN-104000808-A Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS INC 2014-08-27 CN disclosed
CN-102149673-B Fatty acid acetylated salicylates and uses thereof CATABASIS PHARMACEUTICALS INC 2014-07-09 CN disclosed