SCHEMBL25433265

SCHEMBL25433265

CC(=O)OC(c1ccc(C)cc1)C(C)CCC=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.39
ACHE P22303 1/20 0.36
ALOX5 P09917 1/20 0.36
UTS2R Q9UKP6 1/20 0.34
LMNA P02545 1/20 0.34
CCR3 P51677 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CYP19A1 P11511 2/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL25435083 0.76 STAT3 (0.33) STAT3ACHEALOX5UTS2RLMNA
SCHEMBL30297413 0.75 STAT3 (0.41) STAT3ACHEALOX5LMNACYP19A1
SCHEMBL30297365 0.75 STAT3 (0.41) STAT3ACHEALOX5LMNACYP19A1
SCHEMBL25436325 0.73 STAT3 (0.40) STAT3ACHEALOX5LMNACCR3
SCHEMBL29281478 0.72 STAT3 (0.37) STAT3ACHEALOX5LMNACCR3
SCHEMBL29281480 0.72 STAT3 (0.37) STAT3ACHEALOX5LMNACCR3
SCHEMBL31190953 0.72 STAT3 (0.39) STAT3ACHEALOX5LMNACYP19A1
SCHEMBL28045674 0.71 STAT3 (0.46) STAT3ACHEALOX5
SCHEMBL28039437 0.71 STAT3 (0.46) STAT3ACHEALOX5
SCHEMBL11340864 0.71 STAT3 (0.46) STAT3ACHEALOX5

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
WO-2023166004-A1 PROCESS FOR PREPARING GAMMA,DELTA-UNSATURATED ALDEHYDES DERIVATIVES FIRMENICH SA (CH) 2023-09-07 WO disclosed