SCHEMBL21706286

SCHEMBL21706286

CCC(=O)CN(C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
FFAR3 O14843 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 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
SCHEMBL25089409 0.78 TDP1 (0.36) TDP1
SCHEMBL12083932 0.77 TDP1 (0.45) TDP1FFAR3ALDH1A1
SCHEMBL13185130 0.77 TDP1 (0.45) TDP1FFAR3ALDH1A1
SCHEMBL162905 0.74 TDP1 (0.39) TDP1FFAR3ALDH1A1KDM4EATM
SCHEMBL759393 0.74 ALDH1A1 (0.33) TDP1ALDH1A1KDM4EATM
SCHEMBL3651498 0.73
SCHEMBL10072131 0.72 KMT2A (0.31) KDM4EATM
Hydrochloric Acid SCHEMBL5560964 0.72 TDP1 (0.38) TDP1FFAR3ALDH1A1KDM4EATM
SCHEMBL8258938 0.72 ALDH1A1 (0.37) ALDH1A1KDM4EATM
SCHEMBL14079936 0.72 KDM4E (0.31) TDP1ALDH1A1KDM4EATM

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-2020033173-A1 POLYMERIC TANDEM DYES HAVING PENDANT NARROW EMISSION ACCEPTOR BECTON, DICKINSON AND COMPANY (US) 2020-02-13 WO disclosed