SCHEMBL9621843

SCHEMBL9621843

CCC(CC(=O)OC)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 2/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
Hydrochloric Acid SCHEMBL28178646 0.98 SLC6A4 (0.43) SLC6A4SLC6A3MAPTMAPK1NPSR1
SCHEMBL9621706 0.98 SLC6A3 (0.46) SLC6A4SLC6A3MAPTMAPK1NPSR1
SCHEMBL500098 0.84 ALDH1A1 (0.39) SLC6A4SLC6A3MAPTMAPK1NPSR1
SCHEMBL3896866 0.84 MAPK1 (0.46) SLC6A4SLC6A3MAPTMAPK1NPSR1
SCHEMBL10704928 0.83 SLC6A4 (0.43) SLC6A4SLC6A3MAPTMAPK1NPSR1
SCHEMBL9621841 0.83 ALDH1A1 (0.44) MAPTNPSR1L3MBTL1ALDH1A1MEN1
SCHEMBL9621738 0.83 OPRD1 (0.37) SLC6A4SLC6A3ALDH1A1MEN1KMT2A
SCHEMBL4403990 0.82 SLC6A4 (0.44) SLC6A4SLC6A3MAPTMAPK1NPSR1
SCHEMBL9621838 0.81 MAPT (0.54) SLC6A4SLC6A3MAPTMAPK1NPSR1
SCHEMBL8468455 0.81 L3MBTL1 (0.47) SLC6A4SLC6A3MAPTMAPK1NPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269078-B1 ISOMERIZATION PROCESS OF 2-CIS-PENTENOIC-ACID ESTERS TO 2-TRANS-PENTENOIC-ACID ESTERS BASF Aktiengesellschaft (DE) 1992-04-15 EP disclosed
EP-0269043-B1 PROCESS FOR PREPARING 3 PENTENOIC ACID ESTERS FROM 2-PENTENOIC ACID ESTERS BASF Aktiengesellschaft (DE) 1991-08-21 EP disclosed
US-4845269-A Preparation of 3-pentenoates from 2-pentenoates BASF AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
US-4791220-A HEATING WITH AMINE CATALYST BASF AKTIENGESELLSCHAFT (DE) 1988-12-13 US disclosed
EP-0269043-A2 Process for preparing 3 pentenoic acid esters from 2-pentenoic acid esters BASF Aktiengesellschaft (DE) 1988-06-01 EP disclosed
EP-0269078-A2 Isomerization process of 2-cis-pentenoic-acid esters to 2-trans-pentenoic-acid esters BASF Aktiengesellschaft (DE) 1988-06-01 EP disclosed