SCHEMBL8770629

SCHEMBL8770629

CCOC(=O)C(OC)C1CCN(C(=O)NC(=O)c2ccc(C(N)=S)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
NPY2R P49146 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
P2RY12 Q9H244 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 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
SCHEMBL8770643 0.90 ITGB3 (0.50) KMT2ASMN1; SMN2ALOX15HTTITGB3
SCHEMBL8770319 0.84 KMT2A (0.43) KMT2AALDH1A1SMN1; SMN2ALOX15HTT
SCHEMBL8770307 0.79 ITGB3 (0.60) KMT2AALDH1A1SMN1; SMN2ALOX15HTT
SCHEMBL8770635 0.78 ITGB3 (0.44) KMT2AALDH1A1SMN1; SMN2ALOX15HTT
SCHEMBL8770179 0.69 ITGB3 (0.74) KMT2AITGB3ITGA2B
SCHEMBL3254358 0.68 L3MBTL1 (0.43) KMT2AALDH1A1ALOX15L3MBTL1
SCHEMBL8770650 0.67 ITGB3 (0.55) KMT2AITGB3ITGA2B
SCHEMBL8770310 0.67 SMN1; SMN2 (0.60) KMT2AALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL7299583 0.65 HPGD (0.46) KMT2AALDH1A1SMN1; SMN2HTTHPGD
SCHEMBL8770267 0.64 SLC6A2 (0.46) ALDH1A1SMYD3L3MBTL1

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