SCHEMBL28339794

SCHEMBL28339794

CCC(C)n1c(=O)cc[nH]c1=O.Cc1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
EZH2 Q15910 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LPO P22079 1/20 0.31
PTGS1 P23219 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CRBN Q96SW2 1/20 0.30
PKM P14618 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
SCHEMBL6864577 0.83 CDK4 (0.35) SMN1; SMN2ALDH1A1PKM
SCHEMBL9218487 0.73 SMN1; SMN2 (0.39) CA1EZH2SMN1; SMN2MEN1ALDH1A1
SCHEMBL30825575 0.71 SMN1; SMN2 (0.38) CA1EZH2SMN1; SMN2MEN1ALDH1A1
SCHEMBL29207894 0.70 CA1 (0.95) CA1SMN1; SMN2LPOPTGS1MEN1
SCHEMBL60308 0.68
SCHEMBL2930014 0.67 BRD4 (0.32) ALDH1A1
SCHEMBL2603746 0.67 POLB (0.40) ALDH1A1
SCHEMBL9218473 0.67 TYMP (0.38) SMN1; SMN2ALDH1A1ATMPKM
SCHEMBL28328177 0.67 GPR84 (0.31)
Hydrochloric Acid SCHEMBL30618396 0.66 CA1 (0.95) CA1SMN1; SMN2LPOPTGS1MEN1

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-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN disclosed