SCHEMBL8530916

SCHEMBL8530916

O=[C]CNC(=O)CCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.48
TSHR P16473 4/20 0.45
EPHX2 P34913 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 3/20 0.42
ADRA1A P35348 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
AKR1B1 P15121 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39

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
SCHEMBL2442181 0.86 PHF8 (0.48) SMN1; SMN2LMNA
SCHEMBL2548314 0.81 CYP1A2 (0.47) SLC22A6TSHREPHX2SMN1; SMN2LMNA
SCHEMBL7746718 0.80 FAAH (0.54) MEN1MAPTKMT2A
SCHEMBL7742822 0.78 FAAH (0.63) EPHX2MEN1KMT2A
SCHEMBL10557329 0.78 TSHR (0.41) TSHRSMN1; SMN2LMNANFKB1MAPT
SCHEMBL7784202 0.77 FAAH (0.61) SLC22A6TSHREPHX2HSD17B10AKR1B1
SCHEMBL14661992 0.77 FAAH (0.67) EPHX2MEN1KMT2A
SCHEMBL9126413 0.77 FAAH (0.67) EPHX2MEN1KMT2A
SCHEMBL11332591 0.77 FAAH (0.67) EPHX2MEN1KMT2A
SCHEMBL9637545 0.77 FAAH (0.67) EPHX2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5783703-A CARBAPENEM INTERMEDIATES LEDERLE (JAPAN), LTD. (JP) 1998-07-21 US disclosed
US-5679790-A ANTIBIOTICS, BACTERICIDES LEDERLE (JAPAN), LTD. (JP) 1997-10-21 US disclosed