SCHEMBL8614979

SCHEMBL8614979

CC(C)(C)OC(=O)c1cc(O)n(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 6/20 0.45
GAA P10253 1/20 0.45
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
RPA1 P27694 1/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 3/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41

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
SCHEMBL29064961 0.86 ALDH1A1 (0.49) ALDH1A1KMT2AGAAGRNSORT1
SCHEMBL10568581 0.83 KDM4E (0.51) ALDH1A1KMT2AGAARPA1POLB
SCHEMBL28644955 0.82 HPGD (0.50) ALDH1A1KMT2AGAARPA1POLB
SCHEMBL7268 0.79 KMT2A (0.68) ALDH1A1KMT2AGAAPOLBMAPT
SCHEMBL28625965 0.78 KMT2A (0.67) ALDH1A1KMT2AGAAPOLBMAPT
SCHEMBL1143854 0.77 RPA1 (0.67) ALDH1A1KMT2ARPA1MEN1SMN1; SMN2
SCHEMBL25078568 0.72 P2RY1 (0.46) ALDH1A1KMT2AGAAPOLBMAPT
SCHEMBL18694403 0.72 KMT2A (0.55) ALDH1A1KMT2AGAAPOLBMAPT
SCHEMBL15636600 0.71 CNR1 (0.61) ALDH1A1KMT2ACNR1CNR2MEN1
SCHEMBL18693864 0.71 ALDH1A1 (0.56) ALDH1A1GAARPA1LMNA

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-5750550-A RESPIRATORY SYSTEM DISORDERS SANOFI (FR) 1998-05-12 US disclosed