SCHEMBL14930779

SCHEMBL14930779

CCC1CC2CCCC(N(C(=O)OCc3ccccc3[N+](=O)[O-])C34CC5CC(CC(C5)C3)C4)(C1)C2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MAOB P27338 1/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
ACHE P22303 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL14616994 0.85 ALDH1A1 (0.42) KMT2AMAOBALDH1A1L3MBTL1SIGMAR1
SCHEMBL16661599 0.76 MAOB (0.32) KMT2AMAOBALDH1A1L3MBTL1KDM4E
SCHEMBL10925246 0.69 CYP17A1 (0.50) KMT2AMAOBALDH1A1L3MBTL1KDM4E
SCHEMBL14616993 0.68 ALDH1A1 (0.49) KMT2AMAOBALDH1A1L3MBTL1SIGMAR1
SCHEMBL567201 0.67 ALDH1A1 (0.51) KMT2AMAOBALDH1A1L3MBTL1SIGMAR1
SCHEMBL6329441 0.67 MEN1 (0.46) KMT2AALDH1A1L3MBTL1MEN1HTT
SCHEMBL7746053 0.66 ALDH1A1 (0.50) KMT2AMAOBALDH1A1L3MBTL1SIGMAR1
SCHEMBL20590967 0.66 MAOB (0.53) KMT2AMAOBALDH1A1L3MBTL1SIGMAR1
SCHEMBL18233944 0.66 KMT2A (0.49) KMT2AMAOBALDH1A1L3MBTL1MEN1
SCHEMBL566539 0.66 MAOB (0.50) KMT2AMAOBALDH1A1MEN1HTT

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-9029070-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD (JP) 2015-05-12 US disclosed
US-20130115555-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2013-05-09 US disclosed