SCHEMBL358445

SCHEMBL358445

C=COCCN(C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
LTA4H P09960 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL5902060 0.76 MEN1 (0.39) MEN1KMT2AESR1ESR2CHRNB2
SCHEMBL27513725 0.74 MEN1 (0.37) MEN1KMT2AESR1ESR2CHRNB2
SCHEMBL27675633 0.74 MEN1 (0.37) MEN1KMT2AESR1ESR2CHRNB2
SCHEMBL8767641 0.74 PIK3CD (0.48) MEN1KMT2AESR1ESR2CHRNB2
SCHEMBL16668176 0.72 MEN1 (0.43) MEN1KMT2AESR1ESR2CHRNB2
SCHEMBL136974 0.72
SCHEMBL9705215 0.71 MEN1 (0.48) MEN1KMT2AESR1ESR2CHRNB2
SCHEMBL12918859 0.69 MEN1 (0.46) MEN1KMT2AESR1ESR2CHRNB2
SCHEMBL150309 0.69 TSHR (0.52) MEN1KMT2AESR1ESR2CHRNB2
SCHEMBL36341 0.68 KMT2A (0.56) MEN1KMT2ALTA4H

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042571-B1 Ink composition FUJIFILM CORP (JP) 2012-03-14 EP disclosed
US-20090088492-A1 INK COMPOSITION FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090088492-A1 INK COMPOSITION FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
EP-2042571-A1 Ink composition Fujifilm Corporation (JP) 2009-04-01 EP disclosed