SCHEMBL2555121

SCHEMBL2555121

CCCC(C)NC(=O)C(C)N1CCCCC1C=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
EPHX1 P07099 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
POLB P06746 1/20 0.31
MMP1 P03956 1/20 0.30
MMP3 P08254 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
SCHEMBL29952848 0.89 EPHX1 (0.42) GAACYP2C9CYP2C19EPHX1KDM4E
SCHEMBL15330465 0.86 SIGMAR1 (0.33) KDM4ESIGMAR1
SCHEMBL15333259 0.84 SIGMAR1 (0.33) GAACYP2C9CYP2C19EPHX1KDM4E
SCHEMBL29954613 0.82 REN (0.41) GAAEPHX1SIGMAR1
SCHEMBL2559507 0.81 SIGMAR1 (0.40) EPHX1KDM4EALDH1A1SIGMAR1
SCHEMBL29955496 0.81 SIGMAR1 (0.36) GAAEPHX1KDM4EALDH1A1SIGMAR1
SCHEMBL15329588 0.80 XIAP (0.33) KDM4EALDH1A1SIGMAR1MMP1MMP3
SCHEMBL15332462 0.78 TSHR (0.43) EPHX1
SCHEMBL29956844 0.78 KDM4E (0.45) EPHX1KDM4EALDH1A1SIGMAR1
SCHEMBL29956239 0.78 KDM4E (0.48) EPHX1KDM4EALDH1A1SIGMAR1

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 7 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
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed