SCHEMBL18844320

SCHEMBL18844320

O=C1CCCC(=O)N1c1ccc(Cc2ccc(N3C(=O)CCC3=O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
FAAH O00519 1/20 0.53
MGLL Q99685 1/20 0.53
LMNA P02545 5/20 0.50
ALDH1A1 P00352 5/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA9 Q16790 2/20 0.48
POLB P06746 1/20 0.48
CA2 P00918 1/20 0.47
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GFER P55789 1/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL15317853 0.94 FAAH (0.59) KMT2AFAAHMGLLLMNAALDH1A1
SCHEMBL10043076 0.85 MGLL (0.78) KMT2AFAAHMGLLLMNAALDH1A1
SCHEMBL19074450 0.83 CA12 (0.51) KMT2AFAAHMGLLLMNAALDH1A1
SCHEMBL6140262 0.82 KMT2A (0.58) KMT2AMGLLLMNAALDH1A1CA12
SCHEMBL11478927 0.80 CA12 (0.67) KMT2AFAAHMGLLLMNAALDH1A1
SCHEMBL370333 0.78 MGLL (0.62) KMT2AMGLLLMNAALDH1A1CA12
SCHEMBL23220502 0.77 MGLL (0.64) KMT2AFAAHMGLLLMNAALDH1A1
SCHEMBL721079 0.75 KMT2A (0.64) KMT2ALMNAALDH1A1CA12CA1
SCHEMBL31637511 0.75 KMT2A (0.64) KMT2AFAAHMGLLLMNAALDH1A1
SCHEMBL6140503 0.75 LMNA (0.79) KMT2AMGLLLMNAALDH1A1CA12

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
US-20170131751-A1 COMPOSITIONS HAVING A MATRIX AND ENCAPSULATED PHASE CHANGE MATERIALS DISPERSED THEREIN, AND ELECTRONIC DEVICES ASSEMBLED THEREWITH HENKEL AG & CO. KGAA (DE) 2017-05-11 US disclosed