SCHEMBL23717178

SCHEMBL23717178

CCN(CCO)C(=O)NN

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ALDH2 P05091 2/20 0.42
CTSD P07339 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
GAA P10253 1/20 0.30
CA2 P00918 1/20 0.30
SHMT2 P34897 1/20 0.30

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
SCHEMBL18641843 0.84 CA12 (0.43) ALDH1A1ALDH2CTSDLMNACA12
SCHEMBL6142485 0.84
SCHEMBL11015503 0.82 CA1 (0.44) ALDH1A1ALDH2CTSDLMNAKDM4E
SCHEMBL7765563 0.78 ALDH1A1 (0.42) ALDH1A1ALDH2LMNAKDM4EGLA
SCHEMBL7766497 0.77 ALDH1A1 (0.41) ALDH1A1ALDH2LMNAKDM4EGLA
SCHEMBL8748175 0.75 CA2 (0.46) ALDH1A1ALDH2CTSDLMNAPOLB
SCHEMBL2830770 0.75
SCHEMBL9683654 0.74 ALDH1A1 (0.50) ALDH1A1ALDH2LMNAKDM4EGLA
SCHEMBL8637059 0.72
SCHEMBL871699 0.72

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-2021153608-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION AND METHOD FOR MANUFACTURING CURED RELIEF PATTERN 旭化成株式会社 2021-08-05 WO disclosed