SCHEMBL7384140

SCHEMBL7384140

CCC(C(=O)OC1CC(=O)NC1=O)c1ccccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
HSD11B1 P28845 1/20 0.36
CACNA1C Q13936 3/20 0.35
CACNA1F O60840 2/20 0.35
CACNA1D Q01668 2/20 0.35
CACNA1S Q13698 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
OXTR P30559 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7385158 0.83 HSD17B10 (0.43) TP53DDB1CRBNCYP1A2CYP3A4
SCHEMBL7384136 0.80 MEN1 (0.44) POLBMAPK1
SCHEMBL7381326 0.80 MEN1 (0.44) POLBMAPK1
SCHEMBL7387268 0.80 GPBAR1 (0.39) DDB1CRBNCYP1A2CYP3A4CYP2C9
SCHEMBL7388484 0.74 HTT (0.41) TP53MAPK1
SCHEMBL7385425 0.74 KCNQ2 (0.39) CYP1A2TSHRCYP2C19POLB
SCHEMBL7381276 0.73 GAA (0.42) DDB1CRBNTSHR
SCHEMBL7387023 0.72 KCNQ2 (0.45) DDB1CRBNPOLB
SCHEMBL4382787 0.72 KDM4E (0.34) TP53CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL7377871 0.71 PTGS1 (0.40) CYP2C9TSHR

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
US-5281617-A Enzyme inhibitor CORTECH, INC. (US) 1994-01-25 US claimed
WO-1999024395-A1 COMPOUNDS WHICH INHIBIT TRYPTASE ACTIVITY ARRAY BIOPHARMA, INC. (US) 1999-05-20 WO disclosed