SCHEMBL7974801

SCHEMBL7974801

CCCCOCCOC(=O)NC(=N)c1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.39
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
HPGD P15428 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RARB P10826 2/20 0.39
CASP1 P29466 1/20 0.39
ABCB11 O95342 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2B P18089 1/20 0.38
OPRD1 P41143 1/20 0.38
SCN5A Q14524 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37
LMNA P02545 2/20 0.37
MASP2 O00187 1/20 0.37
CTSK P43235 2/20 0.36
MAPK1 P28482 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL7975316 0.92 SMN1; SMN2 (0.36) SMN1; SMN2RAB9ANPC1HPGDL3MBTL1
SCHEMBL7985659 0.92 RAB9A (0.45) SMN1; SMN2RAB9ANPC1HPGDL3MBTL1
SCHEMBL7975413 0.88 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1HPGDLMNA
SCHEMBL7992455 0.88 NPC1 (0.44) SMN1; SMN2RAB9ANPC1HPGDL3MBTL1
SCHEMBL7985754 0.87 EPHX1 (0.46) SMN1; SMN2RAB9ANPC1HPGDL3MBTL1
SCHEMBL7992134 0.86 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1HPGDL3MBTL1
SCHEMBL7993344 0.83 MASP2 (0.33) SMN1; SMN2LMNAMASP2MAPK1ALDH1A1
SCHEMBL7988673 0.82 TSHR (0.38) SMN1; SMN2RAB9ANPC1HPGDCASP1
SCHEMBL7988689 0.81 ALDH1A1 (0.39) SMN1; SMN2HPGDMASP2KDM4EALDH1A1
SCHEMBL7988767 0.80 ALDH1A1 (0.35) SMN1; SMN2RAB9ANPC1HPGDL3MBTL1

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