SCHEMBL11276189

SCHEMBL11276189

O=C(CC(=O)c1ccccc1)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 1/20 0.60
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
LMNA P02545 2/20 0.50
NR4A2 P43354 2/20 0.50
SMYD3 Q9H7B4 1/20 0.50
VNN1 O95497 1/20 0.49
MAPK14 Q16539 1/20 0.49
CES2 O00748 1/20 0.49
NR1I2 O75469 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
CHRM3 P20309 1/20 0.48

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
SCHEMBL423797 0.88 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL29213956 0.85 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL10900761 0.85 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL30235602 0.85 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6865758 0.83 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL28882273 0.82 CES2 (0.62) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL11271901 0.81 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6970291 0.80 CES2 (0.61) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL28423545 0.79 FFAR4 (0.53) MEN1KMT2AMAPTLMNANR4A2
SCHEMBL11268575 0.79 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1HTT

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-4319916-A 3-Acyl-5-phenyl-4(1H)-pyridinones and their use as herbicides ELI LILLY AND COMPANY (US) 1982-03-16 US disclosed