SCHEMBL28547302

SCHEMBL28547302

CCCCCCCCCCCCN(CCN(CCCC)CCCC)C(=O)CCC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.47
PHF8 Q9UPP1 2/20 0.47
KDM4C Q9H3R0 2/20 0.47
SOAT1 P35610 2/20 0.41
MEN1 O00255 1/20 0.41
FAAH O00519 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 6/20 0.41
CA1 P00915 6/20 0.41
CA9 Q16790 2/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CA2 P00918 4/20 0.40
CA4 P22748 3/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL28996941 0.97 KDM5A (0.45) KDM5APHF8KDM4CSOAT1MEN1
SCHEMBL28543510 0.97 KDM5A (0.49) KDM5APHF8KDM4CSOAT1MEN1
SCHEMBL28997019 0.97 KDM5A (0.45) KDM5APHF8KDM4CSOAT1MEN1
SCHEMBL28545692 0.95 KDM5A (0.48) KDM5APHF8KDM4CSOAT1MEN1
SCHEMBL7737120 0.90 SOAT1 (0.48) KDM5APHF8KDM4CSOAT1MEN1
SCHEMBL27188799 0.90 SOAT1 (0.48) KDM5APHF8KDM4CSOAT1MEN1
SCHEMBL9714026 0.90 SOAT1 (0.48) KDM5APHF8KDM4CSOAT1MEN1
SCHEMBL7734572 0.90 SOAT1 (0.48) KDM5APHF8KDM4CSOAT1MEN1
SCHEMBL1032662 0.87 MMP1 (0.48) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL11529875 0.85 SOAT1 (0.52) KDM5APHF8KDM4CSOAT1MEN1

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-112639050-B Asymmetrically substituted diamido ammonium dicarboxylic acid salts and their use for antiagglomerating gas hydrates 科莱恩国际有限公司 2022-11-01 CN disclosed
CN-112639050-A Asymmetrically substituted diamido ammonium dicarboxylic acid salts and their use for antiagglomerating gas hydrates 科莱恩国际有限公司 2021-04-09 CN disclosed