SCHEMBL9684245

SCHEMBL9684245

NC(=O)c1ccc(CCC(NCC(O)COc2ccccc2)NCC(O)COc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 1/20 0.58
ADRB1 P08588 10/20 0.50
ADRB3 P13945 9/20 0.50
ABCB1 P08183 4/20 0.50
ADRB2 P07550 4/20 0.50
CYP2D6 P10635 1/20 0.50
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CNR1 P21554 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 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
SCHEMBL9684119 0.89 MEN1 (0.76) MEN1ALDH1A1KMT2AADRB1ADRB3
SCHEMBL9683310 0.89 MEN1 (0.76) MEN1ALDH1A1KMT2AADRB1ADRB3
SCHEMBL9685457 0.89 MEN1 (0.76) MEN1ALDH1A1KMT2AADRB1ADRB3
SCHEMBL9684112 0.89 MEN1 (0.76) MEN1ALDH1A1KMT2AADRB1ADRB3
SCHEMBL9684240 0.89 MEN1 (0.76) MEN1ALDH1A1KMT2AADRB1ADRB3
SCHEMBL9683304 0.89 MEN1 (0.76) MEN1ALDH1A1KMT2AADRB1ADRB3
Hydrochloric Acid SCHEMBL9684970 0.88 MEN1 (0.74) MEN1ALDH1A1KMT2AADRB1ADRB3
Hydrochloric Acid SCHEMBL9684962 0.88 MEN1 (0.74) MEN1ALDH1A1KMT2AADRB1ADRB3
SCHEMBL9685167 0.83 ADRB1 (0.69) MEN1KMT2AADRB1ADRB3ADRB2
SCHEMBL9685173 0.83 ADRB1 (0.69) MEN1KMT2AADRB1ADRB3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed