SCHEMBL9253578

SCHEMBL9253578

CCOC(=O)c1[nH]c2cc(OC)ccc2c1C=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.72
ALDH1A1 P00352 9/20 0.62
KDM4E B2RXH2 7/20 0.62
HPGD P15428 6/20 0.62
MAPT P10636 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
HSD17B10 Q99714 6/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 3/20 0.55
HTT P42858 2/20 0.55
GAA P10253 4/20 0.51
USP2 O75604 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TUBB4A P04350 4/20 0.51
TUBB P07437 4/20 0.51
TUBA3C P0DPH7 4/20 0.51
TUBA1B P68363 4/20 0.51
TUBA4A P68366 4/20 0.51

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
SCHEMBL7250379 0.90 ALDH1A1 (0.73) ALOX15ALDH1A1KDM4EHPGDMAPT
SCHEMBL37221912 0.90 ALDH1A1 (0.73) ALOX15ALDH1A1KDM4EHPGDMAPT
SCHEMBL4877545 0.87 KDM4E (0.67) ALOX15ALDH1A1KDM4EHPGDMAPT
SCHEMBL9260498 0.86 ALOX15 (0.77) ALOX15ALDH1A1KDM4EHPGDMAPT
SCHEMBL1120783 0.84 ALDH1A1 (0.80) ALOX15ALDH1A1KDM4EHPGDMAPT
SCHEMBL29955347 0.84 ALOX15 (0.73) ALOX15ALDH1A1KDM4EHPGDMAPT
SCHEMBL28640836 0.84 ALOX15 (0.73) ALOX15ALDH1A1KDM4EHPGDMAPT
SCHEMBL29954264 0.84 ALOX15 (0.73) ALOX15ALDH1A1KDM4EHPGDMAPT
SCHEMBL469602 0.84 ALOX15 (1.00) ALOX15
SCHEMBL8794611 0.83 ALDH1A1 (0.66) ALOX15ALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-5428043-A Tricyclic-cyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1995-06-27 US disclosed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP disclosed