SCHEMBL8770635

SCHEMBL8770635

CCOC(=O)COCC1CCN(C(=O)NC(=O)c2ccc(C(N)=S)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.44
ITGA2B P08514 6/20 0.44
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.37
PARP14 Q460N5 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
SCHEMBL8770650 0.90 ITGB3 (0.55) ITGB3ITGA2BKMT2AF2PLG
SCHEMBL8770324 0.86 KMT2A (0.42) ITGB3ITGA2BKMT2AALDH1A1SMN1; SMN2
SCHEMBL8770307 0.86 ITGB3 (0.60) ITGB3ITGA2BKMT2AALDH1A1SMN1; SMN2
SCHEMBL8770629 0.78 KMT2A (0.44) ITGB3ITGA2BKMT2AALDH1A1SMN1; SMN2
SCHEMBL8770297 0.76 ITGB3 (0.53) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL8770179 0.76 ITGB3 (0.74) ITGB3ITGA2BKMT2AF2PLG
SCHEMBL8770620 0.73 ITGB3 (0.55) ITGB3ITGA2BKMT2AALDH1A1SMN1; SMN2
SCHEMBL21070287 0.71 ALDH1A1 (0.40) KMT2AALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL24869858 0.69 KMT2A (0.41) KMT2AALDH1A1
SCHEMBL7011243 0.68 SMN1; SMN2 (0.57) KMT2AALDH1A1SMN1; SMN2HTT

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