SCHEMBL5504744

SCHEMBL5504744

CCCCCCCCCCCCCCCCCC(C(=O)O)N1C=NCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 2/20 0.41
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
ACE2 Q9BYF1 1/20 0.38
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
FFAR4 Q5NUL3 1/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
HSPD1 P10809 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
NOD1 Q9Y239 1/20 0.33

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
SCHEMBL28986442 1.00 GPR84 (0.41) GPR84FFAR1MAPTLCKPPARD
Undecane SCHEMBL28465004 0.82 GPR84 (0.40) GPR84FFAR1MAPTLCKPPARD
SCHEMBL27652230 0.80 GPR84 (0.44) GPR84FFAR1MAPTLCKPPARD
Acetic Acid SCHEMBL7802094 0.80 LMNA (0.37) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28385999 0.79 FFAR4 (0.49) GPR84FFAR1MAPTPPARDFFAR4
SCHEMBL7264158 0.78 GPR84 (0.34) GPR84FFAR1MAPTBLM
SCHEMBL8031338 0.78 GPR84 (0.34) GPR84FFAR1MAPTBLM
SCHEMBL8031471 0.78 GPR84 (0.34) GPR84FFAR1MAPTBLM
Undecane SCHEMBL27847865 0.77 GPR84 (0.33) GPR84FFAR1MAPTLCKPPARD
SCHEMBL10704605 0.77 CA1 (0.43)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761499-A1 1-METHYL-3-TRIFLUOROMETHYL-PYRAZOLE-4-CARBOXYLIC ACID (ORTHO-PHENYL)-ANILIDES AND TO USE THEREOF AS FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 2007-03-14 EP disclosed
WO-2005123689-A1 1-METHYL-3-TRIFLUOROMETHYL-PYRAZOLE-4-CARBOXYLIC ACID (ORTHO-PHENYL)-ANILIDES AND TO USE THEREOF AS FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 2005-12-29 WO disclosed
CN-1152908-A Phenyl acetic acid derivatives, process and intermediate products for their production and agents containing them BASF AG (DE) 1997-06-25 CN disclosed
EP-0271750-A1 Fungicidal cyclohexyl amines BASF Aktiengesellschaft (DE) 1988-06-22 EP disclosed
EP-0254866-A1 Quinolin derivatives, method for their preparation, microbizides containing them and their use in combating bacteria and fungi BASF Aktiengesellschaft (DE) 1988-02-03 EP disclosed
US-4496738-A REACTING A PHENOL, AN ALPHA-NUCLEOPHILIC DISUBSTITUTED CARBOXYLIC ACID AND A 1-H-1,2,4-TRIAZOLE BASF AKTIENGESELLSCHAFT (DE) 1985-01-29 US disclosed
EP-0102543-A2 Dioxanylazol derivatives, fungicides containing them and their use as fungicides BASF Aktiengesellschaft (DE) 1984-03-14 EP disclosed
EP-0069290-A1 Azole compounds, process for their preparation and fungicides containing them BASF Aktiengesellschaft (DE) 1983-01-12 EP disclosed
US-4009256-A NOVEL SHAMPOO COMPOSITION CONTAINING A WATER-SOLUBLE CATIONIC POLYMER NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1977-02-22 US disclosed