SCHEMBL20040323

SCHEMBL20040323

N#COc1ccc(OC(=O)CCCCCOC(=O)C(CCCCNC(=O)CCCCCOC(=O)c2ccc(OC#N)cc2)NC(=O)CCCCCOC(=O)c2ccc(OC#N)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 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
▸ CYP1A2 P05177 1/20 0.36
▸ HPN P05981 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SLC47A2 Q86VL8 1/20 0.36
▸ SLC47A1 Q96FL8 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
SCHEMBL20040326 0.86 MEN1 (0.36) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL20040349 0.83 KMT2A (0.35) KMT2AMEN1MAPTMGLLGLP1R
SCHEMBL20040343 0.81 KMT2A (0.39) KMT2AMEN1MAPTMGLL
SCHEMBL11921753 0.79 PRSS1 (0.38) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL20040297 0.79 KMT2A (0.41) KMT2AMEN1MAPTMGLL
SCHEMBL16270222 0.76 KMT2A (0.50) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL16270248 0.76 KMT2A (0.50) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL11921766 0.74 MEN1 (0.35) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL11921775 0.73 ITGB3 (0.45) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL11925962 0.72 HDAC1 (0.40) KMT2AMEN1SLC22A2TMPRSS2F2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673259-B1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2018-04-11 — — EP disclosed
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