SCHEMBL8041514

SCHEMBL8041514

CCCCC(CC)C(=O)NCCCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
PLA2G2A P14555 1/20 0.54
CA2 P00918 3/20 0.53
CA1 P00915 2/20 0.53
EPHX2 P34913 7/20 0.50
ADRA1A P35348 1/20 0.50
PLA2G4A P47712 1/20 0.50
DPP7 Q9UHL4 1/20 0.49
PRMT1 Q99873 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
GPR84 Q9NQS5 1/20 0.48

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
SCHEMBL29044614 0.91 PLA2G2A (0.58) PLA2G2AEPHX2PLA2G4AALDH1A1TSHR
SCHEMBL29323031 0.89 PLA2G2A (0.59) PLA2G2AEPHX2PLA2G4AALDH1A1TSHR
SCHEMBL18573373 0.89 USP2 (0.59) USP2PLA2G2ACA2CA1DPP7
SCHEMBL22414705 0.87 USP2 (0.69) USP2CA2CA1DPP7MAPK1
SCHEMBL5901983 0.86 PLA2G2A (0.53) USP2PLA2G2ACA2CA1MAPK1
SCHEMBL14490616 0.85 ADRA1A (0.55) PLA2G2AEPHX2ADRA1APLA2G4APRMT1
SCHEMBL8454578 0.85 USP2 (0.56) USP2CA2CA1DPP7MAPK1
SCHEMBL5491789 0.85 USP2 (0.71) USP2CA2CA1DPP7MAPK1
SCHEMBL8454571 0.84 USP2 (0.55) USP2CA2CA1DPP7MAPK1
SCHEMBL11692574 0.83 USP2 (0.69) USP2CA2CA1DPP7MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859756-B1 PREPARATION OF AMIDO ESTER COMPOUNDS EASTMAN CHEM CO (US) 2000-04-05 EP claimed
CN-1192731-A Prepn. of amido ester compound EASTMAN CHEM CO (US) 1998-09-09 CN claimed
EP-0859756-A1 PREPARATION OF AMIDO ESTER COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 1998-08-26 EP claimed
US-5650527-A CONTROLLED ADDITION OF ANHYDRIDE TO REACTION MIXTURE OF AMIDO-CARBOXYLIC ACID AND PHENOL WITH ELECTRON WITHDRAWING GROUPS, ESTER INTERCHANGE CATALYST EASTMAN CHEMICAL COMPANY (US) 1997-07-22 US claimed
WO-1996039378-A1 PREPARATION OF AMIDO ESTER COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 1996-12-12 WO claimed
EP-0859756-B1 PREPARATION OF AMIDO ESTER COMPOUNDS EASTMAN CHEM CO (US) 2000-04-05 EP disclosed
CN-1192731-A Prepn. of amido ester compound EASTMAN CHEM CO (US) 1998-09-09 CN disclosed
EP-0859756-A1 PREPARATION OF AMIDO ESTER COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 1998-08-26 EP disclosed
US-5650527-A CONTROLLED ADDITION OF ANHYDRIDE TO REACTION MIXTURE OF AMIDO-CARBOXYLIC ACID AND PHENOL WITH ELECTRON WITHDRAWING GROUPS, ESTER INTERCHANGE CATALYST EASTMAN CHEMICAL COMPANY (US) 1997-07-22 US disclosed
WO-1996039378-A1 PREPARATION OF AMIDO ESTER COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 1996-12-12 WO disclosed