SCHEMBL4596488

SCHEMBL4596488

C=CC(O)c1ccc(F)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
TRPA1 O75762 1/20 0.38
BLM P54132 2/20 0.37
NFKB1 P19838 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BACE1 P56817 2/20 0.37
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36

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
SCHEMBL30625876 0.84 PPARG (0.53) TSHRCYP3A4PPARGPPARDPPARA
SCHEMBL17371411 0.84 PPARG (0.53) TSHRCYP3A4PPARGPPARDPPARA
SCHEMBL3733650 0.84 PPARG (0.53) TSHRCYP3A4PPARGPPARDPPARA
SCHEMBL17371422 0.84 PPARG (0.53) TSHRCYP3A4PPARGPPARDPPARA
SCHEMBL16952687 0.83 AMY1A (0.38) TSHRCYP3A4BACE1TUBB1AMY1A
SCHEMBL1360247 0.81 TRPA1 (0.59) TSHRCYP3A4TRPA1BLMNFKB1
SCHEMBL25705090 0.80 TSHR (0.43) TSHRCYP3A4PPARGPPARDPPARA
SCHEMBL1240000 0.79 TSHR (0.42) TSHRCYP3A4PPARGPPARDPPARA
SCHEMBL1239102 0.79 TSHR (0.42) TSHRCYP3A4PPARGPPARDPPARA
SCHEMBL9492536 0.78 LMNA (0.36) NPSR1

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
EP-1874747-A1 HISTAMINE H3-RECEPT0R LIGANDS AND THEIR THERAPEUTIC APPLICATION BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117611-A1 HISTAMINE H3-RECEPT0R LIGANDS AND THEIR THERAPEUTIC APPLICATION BIOPROJET (FR) 2006-11-09 WO disclosed