SCHEMBL9307776

SCHEMBL9307776

CCCCNCC(O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
ALDH1A1 P00352 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.62
ASAH1 Q13510 1/20 0.55
ADRB2 P07550 2/20 0.53
LMNA P02545 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
AOC3 Q16853 3/20 0.52
KMT2A Q03164 1/20 0.51
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50

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
SCHEMBL25590884 0.93 ALDH1A1 (0.61) KDM4EL3MBTL1ALDH1A1SMN1; SMN2ASAH1
SCHEMBL9677979 0.89 KDM4E (0.70) KDM4EL3MBTL1ALDH1A1SMN1; SMN2ADRB2
SCHEMBL20689722 0.87 KDM4E (0.73) KDM4EL3MBTL1ALDH1A1SMN1; SMN2ADRB2
Phenylpropanol SCHEMBL27604041 0.86 LMNA (0.68) KDM4EL3MBTL1ALDH1A1SMN1; SMN2ASAH1
Bamethan SCHEMBL19329744 0.84 ALDH1A1 (0.58) KDM4EL3MBTL1ALDH1A1SMN1; SMN2ADRB2
Bamethan SCHEMBL120958 0.84 ALDH1A1 (0.58) KDM4EL3MBTL1ALDH1A1SMN1; SMN2ADRB2
SCHEMBL9191899 0.84 ALDH1A1 (0.55) KDM4EL3MBTL1ALDH1A1SMN1; SMN2ASAH1
SCHEMBL20819645 0.83 ALDH1A1 (0.47) KDM4EL3MBTL1ALDH1A1SMN1; SMN2ADRB2
SCHEMBL20819644 0.83 ALDH1A1 (0.47) KDM4EL3MBTL1ALDH1A1SMN1; SMN2ADRB2
SCHEMBL20819405 0.83 ALDH1A1 (0.50) KDM4EL3MBTL1ALDH1A1SMN1; SMN2ASAH1

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-5334692-A Plastic additive; fireproof BAYER AKTIENGESELLSCHAFT (DE) 1994-08-02 US disclosed