SCHEMBL29956562

SCHEMBL29956562

CC(C(=O)NC(C)(C)C)N1CCC(C=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
KDM4E B2RXH2 3/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM1A O60341 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2554036 0.85 SIGMAR1 (0.38) SIGMAR1KDM4EALDH1A1ATMMEN1
SCHEMBL29952380 0.82 KDM4E (0.35) SIGMAR1KDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL15330120 0.82 SIGMAR1 (0.38) SIGMAR1KDM4EALDH1A1KDM1AATM
SCHEMBL2553398 0.81 SIGMAR1 (0.40) SIGMAR1KDM4EALDH1A1SMN1; SMN2ATM
SCHEMBL29957327 0.79 SIGMAR1 (0.42) SIGMAR1KDM4EALDH1A1SMN1; SMN2ATM
SCHEMBL29955335 0.79 KDM4E (0.51) SIGMAR1KDM4ELMNAALDH1A1KDM1A
SCHEMBL2558352 0.78 SIGMAR1 (0.41) SIGMAR1KDM4EALDH1A1SMN1; SMN2ATM
SCHEMBL2554344 0.78 SIGMAR1 (0.35) SIGMAR1KDM4ELMNAALDH1A1KDM1A
SCHEMBL29955444 0.77 KDM4E (0.59) SIGMAR1KDM4ELMNAALDH1A1ATM
SCHEMBL2561392 0.77 SIGMAR1 (0.46) SIGMAR1KDM4ELMNAALDH1A1SMN1; SMN2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed