SCHEMBL3716700

SCHEMBL3716700

CCNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
PLA2G2C Q5R387 1/20 0.40
PLA2G4B P0C869 1/20 0.39
ADRA1A P35348 1/20 0.39
EPHX2 P34913 4/20 0.38
KDM1A O60341 1/20 0.38
SAT1 P21673 1/20 0.38
PRMT1 Q99873 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
PLA2G2A P14555 1/20 0.37
PPARG P37231 4/20 0.36
PPARD Q03181 4/20 0.36
PPARA Q07869 4/20 0.36
TSHR P16473 3/20 0.36
GPR84 Q9NQS5 3/20 0.36
HDAC11 Q96DB2 3/20 0.36

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
SCHEMBL15974343 1.00 ALDH1A1 (0.41) ALDH1A1CYP2C19CYP1A2PLA2G2CPLA2G4B
SCHEMBL22749468 0.90 ALDH1A1 (0.47) ALDH1A1CYP2C19CYP1A2ADRA1AEPHX2
SCHEMBL22749476 0.88 ALDH1A1 (0.44) ALDH1A1CYP2C19CYP1A2ADRA1AEPHX2
SCHEMBL22288097 0.88 PLA2G2C (0.49) ALDH1A1PLA2G2CPLA2G4BEPHX2MEN1
SCHEMBL19693150 0.88 PAOX (0.46) ALDH1A1PLA2G2CPLA2G4BEPHX2MEN1
SCHEMBL25274188 0.88 PLA2G2C (0.46) ALDH1A1PLA2G2CPLA2G4BEPHX2MEN1
SCHEMBL25233157 0.88 PLA2G2C (0.46) ALDH1A1PLA2G2CPLA2G4BEPHX2MEN1
SCHEMBL23929265 0.88 PLA2G2C (0.49) ALDH1A1PLA2G2CPLA2G4BEPHX2MEN1
SCHEMBL25237038 0.88 PAOX (0.46) ALDH1A1PLA2G2CPLA2G4BEPHX2MEN1
SCHEMBL21634673 0.86 LTA4H (0.41) ALDH1A1CYP2C19CYP1A2PLA2G2CADRA1A

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-2010096052-A1 OXYNTOMODULIN ANALOGS MERCK SHARP & DOHME CORP. (US) 2010-08-26 WO disclosed