SCHEMBL8947728

SCHEMBL8947728

CC(C)(C)OC(=O)N(CCO)CC1CCCN(C(=N)N)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.38
BACE1 P56817 2/20 0.36
CTSD P07339 1/20 0.36
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
TPSAB1 Q15661 3/20 0.34
TPSD1 Q9BZJ3 3/20 0.34
TPSG1 Q9NRR2 3/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ACKR3 P25106 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS2 P07478 1/20 0.34
CTRC Q99895 1/20 0.34
IL2RA P01589 1/20 0.33
ALB P02768 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
Sulfurous Acid SCHEMBL7298457 0.80 EED (0.38) EEDBACE1CTSDCPN1CPB2
SCHEMBL1845039 0.78 SSTR4 (0.38)
SCHEMBL8579033 0.73 ACKR3 (0.47) EEDCPN1CPB2TPSAB1TPSD1
SCHEMBL1543694 0.72 CPN1 (0.43) EEDBACE1CTSDCPN1CPB2
SCHEMBL7333606 0.72 CPN1 (0.35) CPN1CPB2KMT2A
SCHEMBL1845894 0.70 CA14 (0.40) MEN1ALDH1A1MAPTKMT2A
SCHEMBL18843341 0.70 ALOX5 (0.38)
SCHEMBL8719619 0.69 EED (0.47) EEDCPN1CPB2TPSAB1TPSD1
SCHEMBL19083254 0.69 SLC6A1 (0.37)
SCHEMBL1761277 0.69 SSTR4 (0.38)

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-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed