SCHEMBL21345397

SCHEMBL21345397

CC(C)(C)CC(C)(C)CN1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.39
WRN Q14191 1/20 0.39
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL12228960 0.81 BLM (0.34) BLMWRNCA12CA1CA2
SCHEMBL24701273 0.76 TSHR (0.32) BLMWRN
SCHEMBL15541204 0.75 CYP3A4 (0.44) BLMWRN
SCHEMBL23900909 0.74 MGLL (0.44) BLMWRN
SCHEMBL22175032 0.74 BLM (0.32) BLMWRN
SCHEMBL14200373 0.73 POLB (0.38) BLMWRNCA1CA2CA9
SCHEMBL30692455 0.72 TSHR (0.32)
SCHEMBL16577619 0.70 MEN1 (0.44) CA1CA2CA9CHRM2CHRM4
SCHEMBL341991 0.70 FAAH (0.33) BLMWRNCHRM2CHRM4CHRM5
SCHEMBL14076742 0.68 ALDH1A1 (0.36)

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-2019169953-A1 CD24-TARGETING MONOCLONAL ANTIBODY AND DIETHYLAMINE AZO ONIUM DIOL SALT CONJUGATE AND USE THEREOF 中国药科大学 2019-09-12 WO disclosed