SCHEMBL29558404

SCHEMBL29558404

CC1(C)OC2[C@H](O[C@H](CO)[C@@H]2CCOCc2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
PDE4D Q08499 3/20 0.45
GYPA P02724 1/20 0.40
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GLB1 P16278 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
SLC6A2 P23975 1/20 0.33
HTT P42858 1/20 0.33
TACR2 P21452 1/20 0.32

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
SCHEMBL22333927 1.00 ALDH1A1 (0.46) ALDH1A1PDE4DGYPAHPGDMEN1
SCHEMBL22333926 1.00 ALDH1A1 (0.46) ALDH1A1PDE4DGYPAHPGDMEN1
SCHEMBL26207372 0.88 ALDH1A1 (0.47) ALDH1A1PDE4DHPGDMEN1KMT2A
SCHEMBL22333992 0.84 ALDH1A1 (0.67) ALDH1A1HPGDKMT2APOLBSLC6A2
SCHEMBL29558108 0.84 ALDH1A1 (0.67) ALDH1A1HPGDKMT2APOLBSLC6A2
SCHEMBL22901905 0.84 ALDH1A1 (0.67) ALDH1A1HPGDKMT2APOLBSLC6A2
SCHEMBL9372158 0.83 ALDH1A1 (0.47) ALDH1A1PDE4DHPGDMEN1KMT2A
SCHEMBL29558204 0.83 ALDH1A1 (0.41) ALDH1A1PDE4DGYPAHPGD
SCHEMBL29558578 0.83 ALDH1A1 (0.41) ALDH1A1PDE4DGYPAHPGD
SCHEMBL10565538 0.80 PDE4D (0.52) ALDH1A1PDE4DGYPAPOLBSLC6A2

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
EP-3999118-A1 ANTIBODY-STING AGONIST CONJUGATES AND THEIR USE IN IMMUNOTHERAPY Immunesensor Therapeutics, Inc. (US) 2022-05-25 EP disclosed