SCHEMBL29952973

SCHEMBL29952973

CC(C(=O)NC(C)(C)C)N1CCCCC1C=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.32
FKBP1A P62942 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 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
SCHEMBL2554079 0.88 POLB (0.38) SIGMAR1ALDH1A1KDM4EFKBP1A
SCHEMBL15330465 0.84 SIGMAR1 (0.33) SIGMAR1SMN1; SMN2KDM4E
SCHEMBL15329588 0.84 XIAP (0.33) SIGMAR1ALDH1A1KDM4E
SCHEMBL29955496 0.81 SIGMAR1 (0.36) SIGMAR1ALDH1A1KDM4E
SCHEMBL29956239 0.81 KDM4E (0.48) SIGMAR1ALDH1A1KDM4E
SCHEMBL29956844 0.81 KDM4E (0.45) SIGMAR1ALDH1A1KDM4E
SCHEMBL2557932 0.80 EPHX1 (0.41) SIGMAR1
SCHEMBL2555745 0.80 KDM4E (0.31) SIGMAR1KDM4E
SCHEMBL2559507 0.79 SIGMAR1 (0.40) SIGMAR1ALDH1A1LMNAKDM4E
SCHEMBL29952848 0.79 EPHX1 (0.42) ALDH1A1SMN1; SMN2LMNAKDM4E

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