SCHEMBL13630631

SCHEMBL13630631

C=C(C(=O)OCC(=O)OC1OC2C(C)OC(=O)C2C1C(=O)OCC1CCCO1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL13630418 0.86 LMNA (0.36) LMNAPOLBHTTALDH1A1KMT2A
SCHEMBL13630771 0.85
SCHEMBL13630426 0.84 FABP7 (0.30)
SCHEMBL13616633 0.83 LMNA (0.35) LMNAPOLBHTTALDH1A1KMT2A
SCHEMBL13630772 0.83
SCHEMBL13630429 0.83
SCHEMBL13630456 0.81
SCHEMBL13630422 0.81
SCHEMBL13630633 0.81
SCHEMBL13630770 0.80

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-20090286937-A1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-19 US disclosed