SCHEMBL14411541

SCHEMBL14411541

C=C(CCCC)N(C)C(C(=O)O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ PLA2G5 P39877 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.33
▸ CA2 P00918 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GPR84 Q9NQS5 5/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ PPARG P37231 2/20 0.31
▸ PPARD Q03181 2/20 0.31
▸ PPARA Q07869 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SLC22A6 Q4U2R8 1/20 0.31
▸ SLC22A8 Q8TCC7 1/20 0.31
▸ TLR2 O60603 1/20 0.31

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
SCHEMBL4023082 0.82 ALDH1A1 (0.50) ALDH1A1CES2CES1PLA2G2APLA2G5
SCHEMBL4023079 0.82 ALDH1A1 (0.50) ALDH1A1CES2CES1PLA2G2APLA2G5
SCHEMBL22424763 0.77 ALDH1A1 (0.44) ALDH1A1PLA2G2APLA2G5AKR1B1GPR84
SCHEMBL28892954 0.76 PLA2G2A (0.44) ALDH1A1PLA2G2APLA2G5GPR84FFAR1
SCHEMBL28893067 0.76 PLA2G2A (0.44) ALDH1A1PLA2G2APLA2G5GPR84FFAR1
SCHEMBL28893146 0.76 PLA2G2A (0.44) ALDH1A1PLA2G2APLA2G5GPR84FFAR1
SCHEMBL1654403 0.76 PLA2G2A (0.44) ALDH1A1PLA2G2APLA2G5GPR84FFAR1
SCHEMBL16499600 0.76 PLA2G2A (0.44) ALDH1A1PLA2G2APLA2G5GPR84FFAR1
SCHEMBL28892975 0.76 PLA2G2A (0.44) ALDH1A1PLA2G2APLA2G5GPR84FFAR1
SCHEMBL22917267 0.75 ALDH1A1 (0.38) ALDH1A1CES2CES1TP53

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
EP-1555260-B1 Phenyltetrazole compounds DIPHARMA FRANCIS SRL (IT) 2007-09-19 — — EP disclosed
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