SCHEMBL30835571

SCHEMBL30835571

CCCCCCCCCCCCCCCCCCNC(=O)CCC(=O)O.[Gd]

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.71
NAAA Q02083 1/20 0.67
EPHX2 P34913 5/20 0.66
PLA2G2A P14555 1/20 0.59
FAAH O00519 5/20 0.58
KDM4E B2RXH2 1/20 0.56
CNR1 P21554 2/20 0.55
CNR2 P34972 2/20 0.55
EPHX1 P07099 2/20 0.55
PLA2G4A P47712 1/20 0.54
DNM1 Q05193 1/20 0.54

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
SCHEMBL8337296 0.98 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL10420519 0.98 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL10422182 0.98 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL93996 0.98 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL94472 0.98 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL8356691 0.98 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL10686810 0.98 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL10767322 0.98 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL1001785 0.98 CASP2 (0.74) CASP2NAAAEPHX2PLA2G2AFAAH
SCHEMBL30678823 0.96 CASP2 (0.71) CASP2NAAAEPHX2PLA2G2AFAAH

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
CN-110575762-B Preparation method of organic alkyl gadolinium aqueous dispersion system 温州大学新材料与产业技术研究院 2024-03-26 CN claimed
CN-110575762-B Preparation method of organic alkyl gadolinium aqueous dispersion system 温州大学新材料与产业技术研究院 2024-03-26 CN disclosed