SCHEMBL8770290

SCHEMBL8770290

CCOCCC(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.34
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 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
SCHEMBL8770316 0.93 ALDH1A1 (0.41) ALDH1A1TSHRMEN1GAAKMT2A
SCHEMBL6339548 0.81 MEN1 (0.39) ALDH1A1TSHRMEN1GAAKMT2A
SCHEMBL31604 0.81 CHRM1 (0.43) MEN1GAAKMT2ANOS1NOS3
SCHEMBL3328503 0.80 ALDH1A1 (0.44) ALDH1A1TSHRTHRBNOS1NOS3
SCHEMBL27343844 0.78 CA2 (0.48) MEN1GAAKMT2ACTSSCTSK
SCHEMBL7804092 0.78 CA2 (0.48) MEN1GAAKMT2ACTSSCTSK
SCHEMBL2443136 0.77 KMT2A (0.44) ALDH1A1MEN1GAAKMT2ANOS1
SCHEMBL2443141 0.77 KMT2A (0.44) ALDH1A1MEN1GAAKMT2ANOS1
SCHEMBL1344808 0.77 KMT2A (0.39) MEN1GAAKMT2ANOS1NOS3
SCHEMBL28710632 0.77 KMT2A (0.39) MEN1GAAKMT2ANOS1NOS3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632019-B1 Acylureas ZENECA LTD (GB) 1997-09-24 EP disclosed
US-5576334-A ANTICOAGULANTS ZENECA LIMITED (GB) 1996-11-19 US disclosed
EP-0632019-A1 Acylureas ZENECA LIMITED (GB) 1995-01-04 EP disclosed