SCHEMBL5570056

SCHEMBL5570056

C=CCNC(C)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ABCC4 O15439 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FAAH O00519 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
KMT2A Q03164 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL10782183 0.82 TET2 (0.39) SLC6A4ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL20578003 0.80 ALDH1A1 (0.39) SLC6A4ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL20578005 0.80 ALDH1A1 (0.39) SLC6A4ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL1551333 0.78 MAPT (0.35) SLC6A4ALDH1A1MAPTSMN1; SMN2ABCC4
Hydrochloric Acid SCHEMBL437245 0.76 MAPT (0.34) ALDH1A1MAPTSMN1; SMN2ABCC4TSHR
Acetic Acid SCHEMBL1160860 0.76 SLC6A4 (0.36) SLC6A4ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL176161 0.75 CA2 (0.39) ALDH1A1MAPTSMN1; SMN2TSHRTDP1
SCHEMBL176159 0.75 CA2 (0.39) ALDH1A1MAPTSMN1; SMN2TSHRTDP1
SCHEMBL20006676 0.75
SCHEMBL8061118 0.75 TDP1 (0.43) ALDH1A1MAPTSMN1; SMN2LMNAPTGS2

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
EP-0176059-B1 PROCESS FOR THE MANUFACTURE OF LAKING PRODUCTS WITH IMPROVED APPLICATION PROPERTIES BASF Aktiengesellschaft (DE) 1991-11-27 EP claimed
CN-120504520-A Anti-cracking concrete and preparation method thereof 北京京华兴商品混凝土有限公司 2025-08-19 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-1642647-B In an amine or nitrile embedded passivated hydrogenation catalyst AKZO NOBEL NV 2010-04-07 CN disclosed
US-7208448-B2 In an amine or nitrile embedded passivated hydrogenation catalyst AKZO NOBEL N.V. (NL) 2007-04-24 US disclosed
CN-1642647-A In an amine or nitrile embedded passivated hydrogenation catalyst AKZO NOBEL NV (NL) 2005-07-20 CN disclosed
US-20050124833-A1 In an amine or nitrile embedded passivated hydrogenation catalyst AKZO NOBEL N.V. (NL) 2005-06-09 US disclosed
EP-1490174-A1 IN AN AMINE OR NITRILE EMBEDDED PASSIVATED HYDROGENATION CATALYST Akzo Nobel N.V. (NL) 2004-12-29 EP disclosed
WO-2003080243-A1 IN AN AMINE OR NITRILE EMBEDDED PASSIVATED HYDROGENATION CATALYST AKZO NOBEL N.V. (NL) 2003-10-02 WO disclosed