SCHEMBL9250430

SCHEMBL9250430

CC(=O)C(C(=O)OC(C)(C)C)C(=O)c1ccc(C(=O)C(C(C)=O)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
SLC7A5 Q01650 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MEN1 O00255 1/20 0.34
NPR3 P17342 1/20 0.33
MAPT P10636 1/20 0.33
SLC2A1 P11166 1/20 0.33
PTPRC P08575 2/20 0.32
CYP17A1 P05093 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9292700 0.91 AAK1 (0.45) KMT2ALMNASLC7A5AAK1ALDH1A1
SCHEMBL16061270 0.91 CA1 (0.43) KMT2ACA12CA1CA2CA9
SCHEMBL16060815 0.87 NR1H4 (0.41) LMNASLC7A5CA2ALDH1A1HTT
SCHEMBL3827736 0.80 SLC6A2 (0.51) KMT2ASLC7A5MEN1MAPTALDH1A1
SCHEMBL6822603 0.80 DGAT1 (0.36) KMT2ALMNASLC7A5CA12CA1
SCHEMBL2952178 0.80 DGAT1 (0.36) KMT2ALMNASLC7A5CA12CA1
SCHEMBL16061410 0.79 NR1H4 (0.38) LMNASLC7A5MAPTSMN1; SMN2
SCHEMBL8489202 0.77 GSK3B (0.52) SLC7A5TRPA1
SCHEMBL3829355 0.76 CYP1A2 (0.45) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL8489216 0.74 LMNA (0.42) LMNAAAK1PTPRC

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
US-5453464-A Bis-acetoacetates and bis-beta-ketoesters, crosslinkers for hydroxy containing polymers, films EASTMAN CHEMICAL COMPANY (US) 1995-09-26 US disclosed