SCHEMBL5570075

SCHEMBL5570075

CC(C)(O)C(=O)c1ccc(COC(=O)NC(C)(C)c2cccc(C(C)(C)NC(=O)OCc3ccc(C(=O)C(C)(C)O)cc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 3/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
NAAA Q02083 1/20 0.36
LMNA P02545 1/20 0.36
CTSS P25774 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL15362812 0.84 MEN1 (0.52) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL3671211 0.80 HDAC1 (0.48) SMN1; SMN2L3MBTL1LMNA
SCHEMBL14376063 0.79 MEN1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3096317 0.78 GAA (0.30) GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL3096309 0.78 GAA (0.39) GAAALDH1A1L3MBTL1MAPTLMNA
SCHEMBL5106447 0.76 AAK1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL5569968 0.76 KMT2A (0.59) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL3673244 0.76 RAB9A (0.52) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL3671959 0.75 ALDH1A1 (0.44) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL2061934 0.75 RAB9A (0.51) MEN1KMT2AGAAALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed