SCHEMBL27324965

SCHEMBL27324965

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
NT5E P21589 1/20 0.44
LGALS9 O00182 1/20 0.43
LGALS1 P09382 1/20 0.43
LGALS3 P17931 1/20 0.43
LGALS7; LGALS7B P47929 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 4/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA4 P22748 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA5B Q9Y2D0 2/20 0.40

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
SCHEMBL13857157 0.96 NT5E (0.46) KMT2AMEN1USP2POLBNT5E
SCHEMBL20820953 0.94 KMT2A (0.46) KMT2AMEN1USP2POLBNT5E
SCHEMBL18942034 0.92 NT5E (0.47) KMT2AMEN1USP2POLBNT5E
SCHEMBL23603343 0.92 SSTR4 (0.43) KMT2AMEN1USP2POLBNT5E
SCHEMBL21077795 0.92 NT5E (0.53) NT5ELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL23603344 0.92 NT5E (0.53) NT5ELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL13402395 0.90 NT5E (0.53) NT5ELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL18942413 0.89 USP2 (0.51) KMT2AMEN1USP2POLBLGALS9
SCHEMBL21077804 0.88 KMT2A (0.43) KMT2AMEN1USP2POLBNT5E
SCHEMBL3665513 0.88 CA1 (0.50) KMT2AMEN1USP2POLBLGALS9

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
WO-2024121280-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-13 WO disclosed