SCHEMBL7986449

SCHEMBL7986449

CCOC(=O)Cn1ncc2c1CC1CCC2N1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
PTGS2 P35354 1/20 0.35
CYP2C19 P33261 1/20 0.34
XDH P47989 1/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
KDM4E B2RXH2 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 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
SCHEMBL7989746 0.92 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AMAPK1CYP2C19
SCHEMBL7989492 0.81 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ATSHRPOLB
SCHEMBL7989148 0.78 CHRM2 (0.39)
SCHEMBL7985907 0.74 L3MBTL1 (0.38) SMN1; SMN2MEN1KMT2AMAPK1CYP2C19
Hydrochloric Acid SCHEMBL7989639 0.74 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AMAPK1PTGS2
SCHEMBL28268129 0.73 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AMAPK1PTGS2
SCHEMBL700361 0.72 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AMAPK1PTGS2
SCHEMBL13513393 0.72 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AMAPK1PTGS2
SCHEMBL700362 0.72 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AMAPK1PTGS2
SCHEMBL700698 0.71 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AMAPK1PTGS2

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed