SCHEMBL2014524

SCHEMBL2014524

CN(C)CCCNC(=O)c1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
HPGD P15428 1/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.49
SIGMAR1 Q99720 3/20 0.48
TMEM97 Q5BJF2 1/20 0.48
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 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
SCHEMBL771804 0.90 HTT (0.51) HTTKDM4EALDH1A1SIGMAR1TMEM97
SCHEMBL771444 0.88 HTT (0.59) HTTHPGDKDM4EALDH1A1ALOX15
SCHEMBL771272 0.87 KDM4E (0.51) HTTHPGDKDM4EALDH1A1ALOX15
SCHEMBL17911673 0.85 HTT (0.56) HTTKDM4EALDH1A1ALOX15MEN1
SCHEMBL15033595 0.81 HPGD (0.55) HTTHPGDKDM4EALDH1A1ALOX15
SCHEMBL771801 0.81 KDM4E (0.57) HTTHPGDKDM4EALDH1A1ALOX15
SCHEMBL11630070 0.81 HTT (0.55) HTTHPGDKDM4EALDH1A1ALOX15
SCHEMBL18773534 0.79 SMN1; SMN2 (0.60) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL2120631 0.79 HPGD (0.68) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL13162938 0.78 HPGD (0.64) HTTHPGDKDM4EALDH1A1ALOX15

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
WO-2011080016-A2 METHODS OF DIRECTED SELF-ASSEMBLY AND LAYERED STRUCTURES FORMED THEREFROM INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-07-07 WO disclosed
WO-2011073013-A1 METHODS OF DIRECTED SELF-ASSEMBLY WITH 193 - NM IMMERSION LITHOGRAPHY AND LAYERED STRUCTURES FORMED THEREFROM INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-06-23 WO disclosed