SCHEMBL5693389

SCHEMBL5693389

C=C(CCN)C(=O)NCC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
FAAH O00519 1/20 0.33
PLAAT3 P53816 1/20 0.33
PLAAT5 Q96KN8 1/20 0.33
PLAAT2 Q9NWW9 1/20 0.33
PLAAT4 Q9UL19 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31
HTT P42858 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL5693537 0.88 CYP1A2 (0.39) KMT2AFAAHPLAAT3PLAAT5PLAAT2
SCHEMBL2811298 0.82 FAAH (0.40) KMT2AFAAHPLAAT3PLAAT5PLAAT2
SCHEMBL20379712 0.82 FAAH (0.40) KMT2AFAAHPLAAT3PLAAT5PLAAT2
SCHEMBL27839076 0.80 KMT2A (0.37) KMT2AFAAHPLAAT3PLAAT5PLAAT2
SCHEMBL28890853 0.78 FAAH (0.47) KMT2AFAAH
SCHEMBL5693550 0.77
SCHEMBL7936208 0.77
SCHEMBL5177522 0.76 MMP1 (0.33) KMT2AFAAHPLAAT3PLAAT5PLAAT2
SCHEMBL720662 0.75 FAAH (0.59) KMT2AFAAH
SCHEMBL11238049 0.75 FAAH (0.35) KMT2AFAAHPLAAT3PLAAT5PLAAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487882-B1 BASE POLYMER OBTAINED BY HYDROGENATION STOCKHAUSEN CHEM FAB GMBH (DE) 2006-05-24 EP disclosed
US-20050215756-A1 Basic polymer obtained by hydrogenation STOCKHAUSEN GMBH (DE) 2005-09-29 US disclosed
EP-1487882-A1 BASE POLYMER OBTAINED BY HYDROGENATION Stockhausen GmbH (DE) 2004-12-22 EP disclosed
WO-2003080682-A1 BASE POLYMER OBTAINED BY HYDROGENATION STOCKHAUSEN GMBH (DE) 2003-10-02 WO disclosed