SCHEMBL20040326

SCHEMBL20040326

O=C=Nc1ccc(OC(=O)CCCCCOC(=O)C(CCCCNC(=O)CCCCCOC(=O)c2ccc(N=C=O)cc2)NC(=O)CCCCCOC(=O)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 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
▸ KMT2A Q03164 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
SCHEMBL20040323 0.86 KMT2A (0.36) MEN1SLC22A2TMPRSS2F2F10
SCHEMBL11925962 0.86 HDAC1 (0.40) MEN1SLC22A2TMPRSS2F2F10
SCHEMBL20040348 0.83 KMT2A (0.34) KMT2AALBMAPT
SCHEMBL20040345 0.82 KMT2A (0.38) MEN1KMT2AMAPT
SCHEMBL16270515 0.82 KMT2A (0.50) MEN1SLC22A2TMPRSS2F2F10
SCHEMBL11921753 0.81 PRSS1 (0.38) MEN1SLC22A2TMPRSS2F2F10
SCHEMBL16270610 0.80 MEN1 (0.38) MEN1SLC22A2TMPRSS2F2F10
SCHEMBL15006373 0.80 KMT2A (0.40) MEN1KMT2AMAPTMGLL
SCHEMBL11921766 0.79 MEN1 (0.35) MEN1SLC22A2TMPRSS2F2F10
SCHEMBL15259407 0.77 CYP1A2 (0.37) MEN1SLC22A2TMPRSS2F2F10

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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