SCHEMBL14802473

SCHEMBL14802473

N#COc1ccc(C(=O)OCC(=O)OCCOC(=O)COC(=O)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PRSS1 P07477 4/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
ESR2 Q92731 1/20 0.33
ACR P10323 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14802570 0.96 POLB (0.33) POLBSMN1; SMN2PRSS1PRSS2PRSS3
SCHEMBL14802444 0.95 MEN1 (0.38) POLBSMN1; SMN2PRSS1PRSS2PRSS3
SCHEMBL14802630 0.95 PRSS1 (0.39) POLBSMN1; SMN2PRSS1PRSS2PRSS3
SCHEMBL14802509 0.94 MEN1 (0.38) POLBSMN1; SMN2PRSS1PRSS2PRSS3
SCHEMBL11956787 0.92 PRSS1 (0.34) POLBSMN1; SMN2PRSS1PRSS2PRSS3
SCHEMBL16573656 0.91 SERPINE1 (0.35) POLBSMN1; SMN2PRSS1PRSS2PRSS3
SCHEMBL14802576 0.90 MAPK1 (0.37) SMN1; SMN2PRSS1PRSS2PRSS3ESR2
SCHEMBL13611320 0.88 TSHR (0.41) SMN1; SMN2PRSS1PRSS2PRSS3ESR2
SCHEMBL14802505 0.87 PTPN1 (0.33) POLBSMN1; SMN2ESR2MEN1KMT2A
SCHEMBL9964592 0.86 CYP3A4 (0.39) POLBSMN1; SMN2CYP3A4TSHRTDP1

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