SCHEMBL28697114

SCHEMBL28697114

CCOC(=O)c1[nH]c2ccc(OC)cc2c1CCC1Oc2ccccc2O1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.63
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 3/20 0.59
HPGD P15428 3/20 0.59
MAPT P10636 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
HSD17B10 Q99714 3/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
TUBB4A P04350 2/20 0.53
TUBB P07437 2/20 0.53
TUBA3C P0DPH7 2/20 0.53
TUBA1B P68363 2/20 0.53
TUBA4A P68366 2/20 0.53
TUBB4B P68371 2/20 0.53
TUBB3 Q13509 2/20 0.53
TUBB2A Q13885 2/20 0.53
TUBB8 Q3ZCM7 2/20 0.53
TUBA3E Q6PEY2 2/20 0.53

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
SCHEMBL29201304 0.88 ALDH1A1 (0.65) NQO2ALDH1A1KDM4EHPGDMAPT
SCHEMBL27566660 0.81 NQO2 (0.72) NQO2ALDH1A1KDM4EHPGDMAPT
SCHEMBL9185482 0.77 ALDH1A1 (0.71) NQO2ALDH1A1KDM4EHPGDMAPT
SCHEMBL3958468 0.77 ALDH1A1 (0.71) NQO2ALDH1A1KDM4EHPGDMAPT
SCHEMBL29628777 0.77 ALDH1A1 (0.71) NQO2ALDH1A1KDM4EHPGDMAPT
SCHEMBL16711776 0.77 NQO2 (0.67) NQO2ALDH1A1KDM4EHPGDMAPT
SCHEMBL15428004 0.77 NQO2 (1.00) NQO2ALDH1A1KDM4EHPGDMAPT
SCHEMBL6353272 0.76 ALDH1A1 (0.70) NQO2ALDH1A1KDM4EHPGDMAPT
SCHEMBL3954004 0.76 ALDH1A1 (0.68) NQO2ALDH1A1KDM4EHPGDMAPT
SCHEMBL3993248 0.75 ALDH1A1 (1.00) NQO2ALDH1A1KDM4EHPGDMAPT

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
CN-114085179-A Preparation method of N-acetyl-5-methoxytryptamine 福建科宏生物工程股份有限公司 2022-02-25 CN disclosed