SCHEMBL7989716

SCHEMBL7989716

CC(C)(C)OC(=O)/N=C(/NCc1ccccc1)c1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
RIPK1 Q13546 1/20 0.41
CTSK P43235 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NR1H2 P55055 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPID Q08752 1/20 0.38
MMP8 P22894 1/20 0.38
CTSS P25774 1/20 0.37

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
SCHEMBL7989719 1.00 LMNA (0.42) LMNARAB9ACA12CA1CA7
SCHEMBL7986750 0.88 MMP8 (0.48) LMNARAB9ACA12CA1CA7
SCHEMBL7986748 0.88 MMP8 (0.48) LMNARAB9ACA12CA1CA7
SCHEMBL7992662 0.82 SMN1; SMN2 (0.56) LMNARAB9AALDH1A1SMN1; SMN2NPSR1
SCHEMBL7992658 0.82 SMN1; SMN2 (0.56) LMNARAB9AALDH1A1SMN1; SMN2NPSR1
SCHEMBL7985676 0.79 MAPT (0.31) MAPT
SCHEMBL7985674 0.79 MAPT (0.31) MAPT
SCHEMBL7985945 0.77 MAPT (0.35) RAB9ACTSKSMN1; SMN2MAPTMEN1
SCHEMBL7985951 0.77 MAPT (0.35) RAB9ACTSKSMN1; SMN2MAPTMEN1
SCHEMBL7988109 0.77 GRIN2D (0.49) LMNARAB9ACA12CA1CA7

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