SCHEMBL11322011

SCHEMBL11322011

C=CCP(=O)(OCCC)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
AOX1 Q06278 1/20 0.45
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
PKM P14618 1/20 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
SCHEMBL11312165 0.91 MEN1 (0.46) MEN1KMT2AAOX1CA2
SCHEMBL11315124 0.89 MEN1 (0.45) MEN1KMT2AAOX1
SCHEMBL11311112 0.88 MEN1 (0.44) MEN1KMT2AAOX1TSHRALDH1A1
SCHEMBL11312247 0.87 AOX1 (0.59) MEN1KMT2AAOX1CA2ACHE
SCHEMBL11318256 0.83 ALDH1A1 (0.43) MEN1KMT2AAOX1CA2ALOX15
SCHEMBL11319680 0.81 SMN1; SMN2 (0.45) MEN1KMT2AAOX1CA2ACHE
SCHEMBL5483767 0.81 MEN1 (0.67) MEN1KMT2AAOX1CA2ACHE
SCHEMBL11323263 0.80 AOX1 (0.42) MEN1KMT2AAOX1CA2ACHE
SCHEMBL5488445 0.80 MEN1 (0.65) MEN1KMT2AAOX1CA2ACHE
SCHEMBL11312136 0.79 AOX1 (0.44) MEN1KMT2AAOX1CA2ACHE

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-4257987-A SYNERGISTIC ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-24 US disclosed