SCHEMBL11227761

SCHEMBL11227761

CCCCCCCCCCCC(=O)N(C)CC(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.48
▸ FFAR4 Q5NUL3 2/20 0.47
▸ FFAR1 O14842 2/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ FAAH O00519 1/20 0.45
▸ GPR84 Q9NQS5 7/20 0.44
▸ PPARG P37231 7/20 0.44
▸ PPARD Q03181 7/20 0.44
▸ PPARA Q07869 7/20 0.44
▸ HDAC11 Q96DB2 5/20 0.44
▸ TSHR P16473 4/20 0.44
▸ PTPN1 P18031 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TLR2 O60603 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ FABP4 P15090 2/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ SLC22A8 Q8TCC7 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ESR1 P03372 1/20 0.44

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
SCHEMBL22872799 0.84 EPHX2 (0.47) EPHX2FFAR4FFAR1FAAHGPR84
SCHEMBL21227661 0.84 EPHX2 (0.47) EPHX2FFAR4FFAR1FAAHGPR84
SCHEMBL27925204 0.82 MAPT (0.47) EPHX2FFAR4FFAR1FAAHALDH1A1
Hydrochloric Acid SCHEMBL10671346 0.80 ALDH1A1 (0.47) EPHX2FFAR4FAAHALDH1A1MEN1
SCHEMBL22564647 0.77 EPHX2 (0.53) EPHX2FFAR4FFAR1FAAHALDH1A1
SCHEMBL24530948 0.76 KDM4E (0.50) EPHX2FFAR4FFAR1GPR84ALDH1A1
SCHEMBL14655968 0.76 KDM4E (0.50) EPHX2FFAR4FFAR1GPR84ALDH1A1
SCHEMBL21300871 0.76 KDM4E (0.50) EPHX2FFAR4FFAR1GPR84ALDH1A1
SCHEMBL22585010 0.76 KDM4E (0.50) EPHX2FFAR4FFAR1GPR84ALDH1A1
SCHEMBL9275594 0.76 KDM4E (0.50) EPHX2FFAR4FFAR1GPR84ALDH1A1

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
JP-57024343-A — — None — — JP disclosed
JP-S5724343-A N-ACYL-N-ALKYL-BETA-AMINOISOBUTRIC ACID OR ITS SALT ASAHI CHEM IND CO LTD 1982-02-08 — — JP disclosed
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