SCHEMBL5286882

SCHEMBL5286882

COC(=O)CCc1ccc(Oc2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.70
SRD5A2 P31213 1/20 0.60
FFAR4 Q5NUL3 5/20 0.59
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
F2RL1 P55085 1/20 0.51
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
GNA15 P30679 1/20 0.50
PTGER3 P43115 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL1587088 0.91 FFAR1 (0.59) FFAR1FFAR4LMNAL3MBTL1F2RL1
SCHEMBL4654749 0.90 FFAR1 (0.70) FFAR1SRD5A2FFAR4F2RL1TDP1
Apteniol A SCHEMBL16431559 0.88 FFAR1 (0.89) FFAR1SRD5A2FFAR4LMNAL3MBTL1
SCHEMBL5927538 0.86 FFAR1 (0.64) FFAR1SRD5A2FFAR4
SCHEMBL7824247 0.85 FFAR1 (0.54) FFAR1LMNAL3MBTL1
4-Hydroxyhydrocinnamic Acid Methyl Ester SCHEMBL8767620 0.85 FFAR1 (0.54) FFAR1FFAR4LMNAL3MBTL1
Methyl 3-Phenylpropanoate SCHEMBL213543 0.84 KEAP1 (0.70) FFAR1FFAR4LMNATDP1
SCHEMBL22922181 0.84 CYP4F2 (0.59) LMNAF2RL1ADRB2ADRB1TDP1
Methyl 3-Phenylpropanoate SCHEMBL27506579 0.83 KEAP1 (0.68) FFAR1FFAR4LMNATDP1
Methyl 3-Phenylpropanoate SCHEMBL6734679 0.83 KEAP1 (0.68) FFAR1FFAR4LMNATDP1

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-2007005774-A9 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS BEXEL PHARMACEUTICALS INC (US) 2007-03-08 WO disclosed