SCHEMBL2016542

SCHEMBL2016542

CN(C)CCCNC(=O)c1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MCHR1 Q99705 3/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK14 Q16539 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
APP P05067 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL2017654 0.92 HTT (0.61) HPGDKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL771801 0.85 KDM4E (0.57) HPGDKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL771444 0.82 HTT (0.59) HPGDKDM4EALDH1A1HTTMEN1
SCHEMBL10440167 0.82 NAAA (0.57) HPGDALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL3754605 0.82 NAAA (0.57) HPGDALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL29322817 0.80 HTT (0.65) HPGDKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL18773534 0.80 SMN1; SMN2 (0.60) HPGDKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL17911673 0.80 HTT (0.56) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL24849909 0.79 HPGD (0.57) HPGDKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL31245842 0.79 HPGD (0.57) HPGDKDM4EALDH1A1HTTSMN1; SMN2

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