SCHEMBL12848289

SCHEMBL12848289

CCCCCCCCCCCCCCCCCCNC(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCC)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ NOD1 Q9Y239 3/20 0.52
▸ EPHX1 P07099 1/20 0.49
▸ CASP2 P42575 1/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ FAAH O00519 3/20 0.48
▸ GLP1R P43220 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ NAAA Q02083 1/20 0.47
▸ DNM1 Q05193 1/20 0.46
▸ SIRT2 Q8IXJ6 2/20 0.46

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
SCHEMBL13870513 1.00 KMT2A (0.52) KMT2ANOD1EPHX1CASP2EPHX2
SCHEMBL19963635 1.00 KMT2A (0.52) KMT2ANOD1EPHX1CASP2EPHX2
SCHEMBL16247362 0.92 KMT2A (0.62) KMT2ANOD1CASP2GLP1RPOLB
SCHEMBL7605823 0.92 KMT2A (0.62) KMT2ANOD1CASP2GLP1RPOLB
SCHEMBL3691278 0.92 KMT2A (0.62) KMT2ANOD1CASP2GLP1RPOLB
SCHEMBL16247361 0.92 KMT2A (0.62) KMT2ANOD1CASP2GLP1RPOLB
SCHEMBL13870509 0.91 SIRT2 (0.51) NOD1EPHX1CASP2EPHX2FAAH
SCHEMBL8081681 0.91 SIRT2 (0.51) NOD1EPHX1CASP2EPHX2FAAH
SCHEMBL12193061 0.91 EPHX1 (0.56) KMT2ANOD1EPHX1
SCHEMBL13870543 0.87 NOD1 (0.42) KMT2ANOD1EPHX1CASP2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8360565-B2 Material for an inkjet ink composition and inkjet ink composition RICOH COMPANY, LIMITED (JP) 2013-01-29 — — US disclosed
US-20110060100-A1 MATERIAL FOR AN INKJET INK COMPOSITION AND INKJET INK COMPOSITION RICOH COMPANY LIMITED (JP) 2011-03-10 — — US disclosed
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