SCHEMBL29027503

SCHEMBL29027503

C=CC(=O)N1CCCCC1.CCC1(C)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38
KMT2A Q03164 6/20 0.36
TET3 O43151 4/20 0.36
FBXL19 Q6PCT2 4/20 0.36
TET1 Q8NFU7 4/20 0.36
KDM2B Q8NHM5 4/20 0.36
CXXC4 Q9H2H0 4/20 0.36
KDM2A Q9Y2K7 4/20 0.36
CXXC5 Q7LFL8 3/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
JAK3 P52333 3/20 0.35

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
SCHEMBL29027509 0.85 CA2 (0.42) CA2CHKAKMT2ATET3FBXL19
SCHEMBL25207893 0.81 KMT2A (0.45) KMT2ATET3FBXL19TET1KDM2B
SCHEMBL24595770 0.76 JAK3 (0.40) KMT2ATET3FBXL19TET1KDM2B
SCHEMBL29027522 0.75 CA2 (0.35) CA2CHKAKMT2ATET3FBXL19
SCHEMBL18626274 0.74 CA2 (0.43) CA2CHKAKMT2ATET3FBXL19
SCHEMBL10658257 0.74 ALDH1A1 (0.55) CA2CHKAKMT2ATET3FBXL19
SCHEMBL2554891 0.74 ALDH1A1 (0.55) CA2CHKAKMT2ATET3FBXL19
SCHEMBL25231611 0.74 ALDH1A1 (0.55) CA2CHKAKMT2ATET3FBXL19
SCHEMBL20664588 0.74 ALDH1A1 (0.55) CA2CHKAKMT2ATET3FBXL19
SCHEMBL37699 0.74 ALDH1A1 (0.55) CA2CHKAKMT2ATET3FBXL19

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-116391002-A Polymerizable composition, polymer thereof, and molded article obtained using same 科巨希化学股份有限公司 2023-07-04 CN disclosed