SCHEMBL13076341

SCHEMBL13076341

COc1cc(C(C)=O)cc(-c2cc(C(C)=O)cc(OC)c2OOC(C)C(=O)O)c1OOC(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
TPMT P51580 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA3 P07451 1/20 0.37
PKM P14618 1/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ALOX12 P18054 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL17655755 0.76 TPMT (0.62) LMNATPMTKMT2ACA12CA1
SCHEMBL290542 0.73 LMNA (0.69) LMNATPMTKMT2AALDH1A1MAPT
SCHEMBL19272078 0.72 LMNA (0.53) LMNATPMTKMT2ACA12CA1
Hydrochloric Acid SCHEMBL29142671 0.71 LMNA (0.67) LMNATPMTKMT2AALDH1A1MAPT
Chloroform SCHEMBL7815652 0.71 LMNA (0.60) LMNATPMTKMT2AMAPK1ALDH1A1
SCHEMBL4548527 0.70 LMNA (0.40) LMNATPMTKMT2AMAPK1ALDH1A1
SCHEMBL31059012 0.69 LMNA (0.58) LMNATPMTALDH1A1SMN1; SMN2TUBB4A
SCHEMBL7374627 0.69 LMNA (0.58) LMNATPMTALDH1A1SMN1; SMN2TUBB4A
SCHEMBL17655663 0.69 TPMT (0.70) LMNATPMTKMT2ACA12CA1
SCHEMBL1928259 0.69 LMNA (0.62) LMNATPMTKMT2AALDH1A1MAPT

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
WO-2010126719-A1 NEUROPROTECTIVE COMPOUNDS AND THEIR USE MCW RESEARCH FOUNDATION, INC. (US) 2010-11-04 WO disclosed