SCHEMBL9877199

SCHEMBL9877199

CCOc1ccc(N(C(=O)CO)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACACB O00763 2/20 0.45
PARP10 Q53GL7 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL7227209 0.88 ALDH1A1 (0.43) NQO1ALDH1A1LMNAACACBPARP10
SCHEMBL10537588 0.85 TRPM8 (0.49) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL11925042 0.85 LMNA (0.51) NQO1ALDH1A1LMNASMN1; SMN2ACACB
SCHEMBL11925051 0.84 GAA (0.47) NQO1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL5718403 0.78 ALDH1A1 (0.49) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL8864904 0.78 ALDH1A1 (0.49) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL9403533 0.78 ALDH1A1 (0.71) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL11778917 0.76 ABCB11 (0.50) LMNATP53SMN1; SMN2MAPTKDM4E
Acetic Acid SCHEMBL6262503 0.74 ALDH1A1 (0.49) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL9656371 0.74 MLYCD (0.50) ALDH1A1LMNATP53SMN1; SMN2

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-4988380-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed