SCHEMBL2554949

SCHEMBL2554949

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
FAAH O00519 3/20 0.43
MME P08473 2/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 2/20 0.41
SLC6A5 Q9Y345 1/20 0.41
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL28571485 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTFAAHMME
SCHEMBL1476944 0.83 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTFAAHMME
SCHEMBL1476947 0.83 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTFAAHMME
SCHEMBL13236347 0.82 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPTFAAHMME
SCHEMBL564562 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPTFAAHMME
SCHEMBL783990 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPTFAAHMME
SCHEMBL3145911 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPTFAAHMME
Hydrochloric Acid SCHEMBL12095469 0.79 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPTFAAHMME
Hydrochloric Acid SCHEMBL2487054 0.79 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPTFAAHMME
SCHEMBL14113361 0.79 TSHR (0.33) SMN1; SMN2ALDH1A1FAAHTSHRSLC6A5

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 9 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
CN-112778188-A Preparation method of alternaria tenuifolia keto acid and derivatives thereof 安徽农业大学 2021-05-11 CN 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
CN-103298778-A Glycine derivatives having melanogenesis inhibitory activity and whitening compositions containing the same CORUM INC 2013-09-11 CN 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