SCHEMBL8770307

SCHEMBL8770307

CCOC(=O)COC1CCN(C(=O)NC(=O)c2ccc(C(N)=S)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.60
ITGA2B P08514 8/20 0.60
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
P2RY12 Q9H244 1/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KCNH2 Q12809 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
SCHEMBL8770179 0.90 ITGB3 (0.74) ITGB3ITGA2BKMT2A
SCHEMBL8770635 0.86 ITGB3 (0.44) ITGB3ITGA2BKMT2AALDH1A1SMN1; SMN2
SCHEMBL8770620 0.84 ITGB3 (0.55) ITGB3ITGA2BKMT2AALDH1A1SMN1; SMN2
SCHEMBL8770629 0.79 KMT2A (0.44) ITGB3ITGA2BKMT2AALDH1A1SMN1; SMN2
SCHEMBL8770650 0.76 ITGB3 (0.55) ITGB3ITGA2BKMT2A
SCHEMBL8770567 0.75 ITGB3 (0.70) ITGB3ITGA2BKMT2A
Sibrafiban SCHEMBL50759 0.73 ITGB3 (1.00) ITGB3ITGA2BPOLB
Sibrafiban SCHEMBL27618015 0.73 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL2008084 0.72 ITGB3 (0.45) ITGB3ITGA2BKMT2AALDH1A1SMN1; SMN2
SCHEMBL7302533 0.72 ITGB3 (0.54) ITGB3ITGA2BKMT2ASMN1; SMN2P2RY12

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