SCHEMBL5494135

SCHEMBL5494135

CCC(C)OC(=O)N1CSCC1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.54
PREP P48147 2/20 0.37
DPP4 P27487 3/20 0.36
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 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
SCHEMBL5117593 0.84 ACE (0.55) ACEPREPDPP4RAB9AATM
Telmesteine SCHEMBL1425417 0.80 ACE (0.53) ACEPREPRAB9AATM
Telmesteine SCHEMBL637246 0.80 ACE (0.53) ACEPREPRAB9AATM
SCHEMBL6706811 0.73 ACE (0.47) ACEPREPRAB9AATM
SCHEMBL19084116 0.73 ACE (0.55) ACEPREPDPP4DPP8DPP7
SCHEMBL6051964 0.73 ACE (0.55) ACEPREPDPP4DPP8DPP7
SCHEMBL202300 0.72 ACE (0.48) ACEPREPATMHSD17B10
SCHEMBL202301 0.72 ACE (0.48) ACEPREPATMHSD17B10
SCHEMBL1022969 0.72 ACE (0.48) ACEPREPATMHSD17B10
SCHEMBL6482583 0.71 ACE (0.57) ACEPREPDPP4RAB9AATM

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
EP-1844022-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2007-10-17 EP disclosed
WO-2006071017-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 WO disclosed