SCHEMBL2556744

SCHEMBL2556744

CC(=O)c1c[nH]c(C(=O)NC(CCO)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.52
SORT1 Q99523 4/20 0.52
SMYD3 Q9H7B4 3/20 0.45
AKR1C3 P42330 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BRD4 O60885 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
MAPK14 Q16539 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL15330035 0.89 GRN (0.48) GRNSORT1SMYD3AKR1C3L3MBTL1
SCHEMBL15330267 0.84 GRN (0.53) GRNSORT1SMYD3AKR1C3L3MBTL1
SCHEMBL2562476 0.83 SMYD3 (0.47) GRNSORT1SMYD3AKR1C3L3MBTL1
SCHEMBL15332560 0.76 SMYD3 (0.47) SMYD3AKR1C3L3MBTL1ALDH1A1KDM4E
SCHEMBL29955250 0.75 SMYD3 (0.47) GRNSORT1SMYD3AKR1C3L3MBTL1
SCHEMBL15332548 0.75 SMYD3 (0.46) GRNSORT1SMYD3AKR1C3L3MBTL1
SCHEMBL2562433 0.75 SMYD3 (0.46) GRNSORT1SMYD3AKR1C3L3MBTL1
SCHEMBL29953517 0.75 CA2 (0.47) SMYD3AKR1C3L3MBTL1ALDH1A1KDM4E
SCHEMBL15332731 0.75 CA2 (0.47) SMYD3AKR1C3L3MBTL1ALDH1A1KDM4E
SCHEMBL15332388 0.72 GRN (0.38) GRNSORT1ALDH1A1KDM4EMEN1

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