SCHEMBL21077804

SCHEMBL21077804

O=C(OCC1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)C(O)[C@H]1OCc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TACR2 P21452 3/20 0.42
LGALS9 O00182 1/20 0.42
LGALS1 P09382 1/20 0.42
LGALS3 P17931 1/20 0.42
LGALS7; LGALS7B P47929 1/20 0.42
NT5E P21589 1/20 0.41
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA5A P35218 2/20 0.37

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
SCHEMBL20820953 0.92 KMT2A (0.46) KMT2ASLC6A2SLC6A3TDP1TACR2
SCHEMBL27324965 0.88 KMT2A (0.45) KMT2ASLC6A2SLC6A3TDP1TACR2
SCHEMBL13857157 0.88 NT5E (0.46) KMT2ASLC6A2SLC6A3TDP1TACR2
SCHEMBL21077811 0.84 KMT2A (0.49) KMT2ASLC6A2SLC6A3TDP1TACR2
SCHEMBL5689323 0.84 GJB2 (0.48) SLC6A2TACR2NT5EGJB2BCHE
SCHEMBL5689122 0.84 GJB2 (0.48) SLC6A2TACR2NT5EGJB2BCHE
SCHEMBL5688893 0.84 GJB2 (0.48) SLC6A2TACR2NT5EGJB2BCHE
SCHEMBL24107976 0.84 LGALS9 (0.56) SLC6A2TACR2LGALS9LGALS1LGALS3
SCHEMBL18942034 0.83 NT5E (0.47) KMT2ASLC6A2SLC6A3TDP1LGALS9
SCHEMBL20759687 0.82 SLC6A2 (0.45) SLC6A2TACR2LGALS9LGALS1LGALS3

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-3492482-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE Vaxxilon AG (CH) 2019-06-05 EP disclosed