SCHEMBL10905690

SCHEMBL10905690

CCCCCC(=O)N(C(C)CCC(=O)O)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.49
▸ FFAR1 O14842 2/20 0.49
▸ AKR1B1 P15121 1/20 0.47
▸ GPR84 Q9NQS5 7/20 0.46
▸ PPARG P37231 7/20 0.46
▸ PPARD Q03181 7/20 0.46
▸ PPARA Q07869 7/20 0.46
▸ HDAC11 Q96DB2 5/20 0.46
▸ TSHR P16473 4/20 0.46
▸ PTPN1 P18031 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TLR2 O60603 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ FABP4 P15090 2/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ SLC22A8 Q8TCC7 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ PDE4A P27815 1/20 0.46

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
SCHEMBL10903625 0.77 ALDH1A1 (0.42) FFAR4FFAR1AKR1B1GPR84PPARG
Hexanoate SCHEMBL10950478 0.71 AKR1B1 (0.70) FFAR4FFAR1AKR1B1GPR84PPARG
SCHEMBL8397154 0.70 GABRP (0.47) FFAR4FFAR1AKR1B1GPR84PPARG
Hexanoate SCHEMBL3414358 0.70 AKR1B1 (0.84) FFAR4FFAR1AKR1B1GPR84PPARG
Hexanoate SCHEMBL3035354 0.70 AKR1B1 (0.84) FFAR4FFAR1AKR1B1GPR84PPARG
Palmitic Acid SCHEMBL10785492 0.70 GPR84 (0.71) FFAR4FFAR1AKR1B1GPR84PPARG
Decanoic Acid SCHEMBL10952051 0.70 GPR84 (0.71) FFAR4FFAR1AKR1B1GPR84PPARG
Octanoic Acid SCHEMBL10948025 0.70 GPR84 (0.71) FFAR4FFAR1AKR1B1GPR84PPARG
Behenic Acid SCHEMBL31064971 0.70 GPR84 (0.71) FFAR4FFAR1AKR1B1GPR84PPARG
Hexanoate SCHEMBL1131402 0.70 AKR1B1 (0.67) FFAR4FFAR1AKR1B1GPR84PPARG

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
US-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
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