SCHEMBL30559909

SCHEMBL30559909

CCCCCCCCCCCCCCN(CC(=O)O)C(=N)NCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.46
EPHX2 P34913 4/20 0.43
NAAA Q02083 3/20 0.43
PLA2G2A P14555 1/20 0.43
CASP2 P42575 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL1793489 0.85 EPHX1 (0.47) EPHX1NAAACASP2
SCHEMBL1796143 0.85 EPHX1 (0.47) EPHX1NAAACASP2
SCHEMBL1794229 0.85 EPHX1 (0.47) EPHX1NAAACASP2
SCHEMBL7540262 0.84 KDM5A (0.39) PLA2G2AALDH1A1
SCHEMBL1797320 0.83 EPHX1 (0.43) EPHX1NAAACASP2ALDH1A1
SCHEMBL6732175 0.83 EPHX1 (0.43) EPHX1NAAACASP2ALDH1A1
SCHEMBL30559897 0.82 HSP90AA1 (0.42) ALDH1A1
SCHEMBL2904138 0.81 EPHX1 (0.48) EPHX1EPHX2NAAAPLA2G2ACASP2
SCHEMBL30933414 0.79 EPHX1 (0.47) EPHX1EPHX2NAAAPLA2G2ACASP2
SCHEMBL27619829 0.79 EPHX1 (0.47) EPHX1EPHX2NAAAPLA2G2ACASP2

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
CN-111417620-B Creatine prodrugs, compositions thereof, and methods of use 奥特吉尼克斯制药公司 2023-08-25 CN disclosed