SCHEMBL15329588

SCHEMBL15329588

CNC(=O)C(C)N1CCCCC1C=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MMP1 P03956 2/20 0.32
MMP9 P14780 2/20 0.32
MMP14 P50281 2/20 0.32
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
AKR1C3 P42330 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL15330465 0.88 SIGMAR1 (0.33) KDM4ESIGMAR1
SCHEMBL29956844 0.85 KDM4E (0.45) KDM4ESIGMAR1ALDH1A1
SCHEMBL29955496 0.85 SIGMAR1 (0.36) KDM4ESIGMAR1ALDH1A1
SCHEMBL29956239 0.85 KDM4E (0.48) KDM4ESIGMAR1ALDH1A1
SCHEMBL29952973 0.84 SIGMAR1 (0.33) KDM4ESIGMAR1ALDH1A1
SCHEMBL2557932 0.84 EPHX1 (0.41) SIGMAR1MMP1
SCHEMBL2555745 0.84 KDM4E (0.31) KDM4ESIGMAR1
SCHEMBL29952848 0.82 EPHX1 (0.42) KDM4EMMP1MMP2MMP3ALDH1A1
SCHEMBL2559507 0.82 SIGMAR1 (0.40) KDM4ESIGMAR1ALDH1A1
SCHEMBL15333259 0.82 SIGMAR1 (0.33) KDM4ESIGMAR1

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 5 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed