SCHEMBL28285672

SCHEMBL28285672

CC(C)(C)c1cc(CCC(=O)N(N)C(=O)CCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(CCC(=O)NNC(=O)CCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.45
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
AGTR1 P30556 1/20 0.39
NR5A2 O00482 1/20 0.38
NR5A1 Q13285 1/20 0.38
CYP2C19 P33261 4/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSPA5 P11021 1/20 0.36
CYP2C9 P11712 2/20 0.35
HIF1A Q16665 1/20 0.35
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL27908558 0.92 CYP2C19 (0.41) GAAKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL7567813 0.91 GAA (0.49) GAAKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL30641460 0.91 GAA (0.49) GAAKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL27920804 0.87 NR5A2 (0.40) GAAKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL7102142 0.83 GAA (0.65) GAAKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL28285670 0.82 GAA (0.68) GAAKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL30256143 0.79 GAA (0.56) GAAKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL26382867 0.79 GAA (0.56) GAAKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL8606822 0.79 GAA (0.52) GAAKMT2AALDH1A1HTTNR5A2
SCHEMBL27411813 0.79 GAA (0.46) GAAKMT2AALDH1A1HTTSMN1; 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
CN-109422871-A A kind of polymer blend and preparation method thereof 东丽纤维研究所(中国)有限公司 2019-03-05 CN disclosed