SCHEMBL14802444

SCHEMBL14802444

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ESR1 P03372 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
NR1H2 P55055 1/20 0.35
RNASEL Q05823 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL14802509 0.99 MEN1 (0.38) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL14802630 0.98 PRSS1 (0.39) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL14802473 0.95 POLB (0.34) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL14802570 0.92 POLB (0.33) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL13611326 0.89 PRSS1 (0.45) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL13611329 0.88 PRSS1 (0.44) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL14802576 0.87 MAPK1 (0.37) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL11956787 0.87 PRSS1 (0.34) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL16573656 0.86 SERPINE1 (0.35) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL13611354 0.86 PRSS1 (0.47) PRSS1PRSS2PRSS3LMNACYP1A2

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