SCHEMBL19445635

SCHEMBL19445635

COc1ccc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c2cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c3cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c4cc(NC(=O)[C@@H](C)N)ccc4OC)ccc3OC)ccc2OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNB1 Q14721 2/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ PRMT1 Q99873 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPY4R P50391 2/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ EHMT2 Q96KQ7 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL10260923 0.93 NPY4R (0.39) KCNB1MEN1KMT2ANPY4RNPY1R
SCHEMBL13973705 0.92 NPY4R (0.39) KCNB1NPY4RNPY1RTSHRMMP2
SCHEMBL10262445 0.91 NPY4R (0.38) KCNB1MEN1KMT2ANPY4RNPY1R
SCHEMBL21372068 0.91 NPY4R (0.38) KCNB1MEN1KMT2ANPY4RNPY1R
SCHEMBL10260699 0.89 NPY4R (0.38) KCNB1NPY4RNPY1RTSHRMMP2
SCHEMBL21372062 0.86 NPY4R (0.35) KCNB1ALDH1A1NPY4RNPY1RTSHR
SCHEMBL15277754 0.86 NPY4R (0.43) KCNB1ALDH1A1NPY4RNPY1RTSHR
SCHEMBL15277771 0.86 NPY4R (0.42) KCNB1NPY4RNPY1RTSHRMMP2
SCHEMBL10261740 0.86 NPY4R (0.44) KCNB1NPY4RNPY1RTSHRMMP2
SCHEMBL16285905 0.86 NPY4R (0.42) KCNB1MEN1KMT2ANPY4RNPY1R

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-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
Send feedback