SCHEMBL29956239

SCHEMBL29956239

CC(C(=O)NC1CCCC1)N1CCCCC1C=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.44
CASP6 P55212 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
EPHX2 P34913 4/20 0.39
EPHX1 P07099 3/20 0.39
ATM Q13315 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29956844 0.97 KDM4E (0.45) KDM4EALDH1A1CASP6SIGMAR1TSHR
SCHEMBL15330465 0.85 SIGMAR1 (0.33) KDM4ESIGMAR1KMT2A
SCHEMBL15329588 0.85 XIAP (0.33) KDM4EALDH1A1SIGMAR1
SCHEMBL29955496 0.82 SIGMAR1 (0.36) KDM4EALDH1A1SIGMAR1EPHX1KMT2A
SCHEMBL29952973 0.81 SIGMAR1 (0.33) KDM4EALDH1A1SIGMAR1
SCHEMBL2557932 0.81 EPHX1 (0.41) SIGMAR1HTTEPHX1KMT2A
SCHEMBL2555745 0.81 KDM4E (0.31) KDM4ESIGMAR1HTTEPHX2
SCHEMBL2559507 0.80 SIGMAR1 (0.40) KDM4EALDH1A1SIGMAR1TSHREPHX1
SCHEMBL29952848 0.80 EPHX1 (0.42) KDM4EALDH1A1HTTEPHX2EPHX1
SCHEMBL15333259 0.80 SIGMAR1 (0.33) KDM4ESIGMAR1HTTEPHX2EPHX1

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