SCHEMBL14802443

SCHEMBL14802443

N#COc1ccc(C(=O)OCCCCCC(=O)OCCOC(=O)CCCCCOC(=O)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
STS P08842 6/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 2/20 0.36
SLC22A2 O15244 1/20 0.36
TMPRSS2 O15393 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
F12 P00748 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36
HPN P05981 1/20 0.36
CHRM2 P08172 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
SCHEMBL16270230 0.97 PRSS1 (0.35) PRSS1PRSS2PRSS3STSMEN1
SCHEMBL14802574 0.91 STS (0.33) PRSS1PRSS2PRSS3STSMEN1
SCHEMBL13611324 0.90 PRSS1 (0.44) PRSS1PRSS2PRSS3STSTDP1
SCHEMBL14802630 0.88 PRSS1 (0.39) PRSS1PRSS2PRSS3STSMEN1
SCHEMBL13624644 0.87 HDAC1 (0.40) PRSS1PRSS2PRSS3KMT2ATDP1
SCHEMBL16270246 0.87 HDAC1 (0.38) HTT
SCHEMBL16270506 0.86 PRSS1 (0.41) PRSS1PRSS2PRSS3STSTDP1
SCHEMBL813523 0.86 PRSS1 (0.42) PRSS1PRSS2PRSS3MEN1KMT2A
SCHEMBL14802444 0.85 MEN1 (0.38) PRSS1PRSS2PRSS3STSMEN1
SCHEMBL14802473 0.85 POLB (0.34) PRSS1PRSS2PRSS3MEN1KMT2A

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
US-20160250374-A1 Absorbable Multi-Putty Bone Cements and Hemostatic Compositions and Methods of Use ORTHOCON, INC. 2016-09-01 US disclosed
US-9314547-B2 Absorbable multi-putty bone cements and hemostatic compositions and methods of use ABYRX INC. (US) 2016-04-19 US disclosed
US-20130078300-A1 BIOABSORBABLE POLYMERS FROM BIOABSORBABLE POLYISOCYANATES AND USES THEREOF BEZWADA BIOMEDICAL, LLC (US) 2013-03-28 US disclosed