SCHEMBL7993344

SCHEMBL7993344

CC(C)COCCOC(=O)NC(=N)c1cc[c]cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7986464 0.88 MASP2 (0.40) MASP2ALDH1A1LMNATSHRMAPK1
SCHEMBL7975413 0.86 SMN1; SMN2 (0.40) MASP2ALDH1A1LMNATSHRMAPK1
SCHEMBL7975316 0.85 SMN1; SMN2 (0.36) MASP2ALDH1A1LMNATSHRMAPK1
SCHEMBL7988767 0.84 ALDH1A1 (0.35) MASP2ALDH1A1LMNATSHRMAPK1
SCHEMBL7988673 0.83 TSHR (0.38) MASP2ALDH1A1LMNATSHRHTT
SCHEMBL7974801 0.83 SMN1; SMN2 (0.39) MASP2ALDH1A1LMNATSHRMAPK1
SCHEMBL7992134 0.82 SMN1; SMN2 (0.42) MASP2ALDH1A1LMNATSHRMAPK1
SCHEMBL7989592 0.81 MASP2 (0.33) MASP2SMN1; SMN2
SCHEMBL7989442 0.80 CTSK (0.30)
SCHEMBL7985659 0.80 RAB9A (0.45) MASP2ALDH1A1LMNATSHRMAPK1

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