SCHEMBL28548331

SCHEMBL28548331

CCCCCCCCCCCCN(CCCCCCN(C)C)C(=O)CCC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.50
SOAT1 P35610 2/20 0.43
MEN1 O00255 1/20 0.43
FAAH O00519 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4A O75164 4/20 0.42
KDM4C Q9H3R0 4/20 0.42
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
KDM4E B2RXH2 2/20 0.40
KDM5A P29375 1/20 0.39
KDM7A Q6ZMT4 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM2A Q9Y2K7 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
SCHEMBL28541459 0.98 DNM1 (0.48) DNM1SOAT1MEN1FAAHTP53
SCHEMBL9714026 0.93 SOAT1 (0.48) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL7734572 0.93 SOAT1 (0.48) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL7737120 0.93 SOAT1 (0.48) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL27188799 0.93 SOAT1 (0.48) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL28840611 0.88 KDM4A (0.41) CYP1A2KDM4AKDM4CKDM5AKDM7A
SCHEMBL28543510 0.87 KDM5A (0.49) SOAT1MEN1FAAHTP53CYP1A2
Trimethylammonium SCHEMBL27405145 0.86 SOAT1 (0.50) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL3719758 0.86 SOAT1 (0.53) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL11782567 0.86 SOAT1 (0.53) SOAT1MEN1FAAHTP53CYP1A2

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