SCHEMBL24672150

SCHEMBL24672150

Cc1ccc(S[C@@H]2OC(COCc3ccccc3)[C@H](OCc3ccccc3)C(OCc3ccccc3)C2OC(=O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.52
TACR2 P21452 3/20 0.47
PTPN1 P18031 8/20 0.42
CDC25B P30305 6/20 0.41
LGALS9 O00182 2/20 0.41
LGALS1 P09382 2/20 0.41
LGALS3 P17931 2/20 0.41
PTPN2 P17706 3/20 0.41
PTPN11 Q06124 3/20 0.41
LGALS7; LGALS7B P47929 1/20 0.40
PTPN6 P29350 2/20 0.40
SSTR4 P31391 1/20 0.39
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL3248483 0.93 NT5E (0.56) NT5ETACR2PTPN1CDC25BLGALS9
SCHEMBL24107840 0.93 NT5E (0.56) NT5ETACR2PTPN1CDC25BLGALS9
SCHEMBL13402395 0.91 NT5E (0.53) NT5ETACR2PTPN1CDC25BLGALS9
SCHEMBL13402397 0.91 NT5E (0.56) NT5ETACR2PTPN1CDC25BLGALS9
SCHEMBL26273709 0.89 CA12 (0.48) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL21077795 0.89 NT5E (0.53) NT5ETACR2PTPN1CDC25BLGALS9
SCHEMBL23603344 0.89 NT5E (0.53) NT5ETACR2PTPN1CDC25BLGALS9
SCHEMBL22500214 0.89 LGALS3 (0.49) NT5ETACR2LGALS9LGALS1LGALS3
SCHEMBL7027519 0.88 SSTR4 (0.44) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL21076164 0.88 LGALS3 (0.46) NT5ETACR2LGALS9LGALS1LGALS3

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-2022224035-A2 ANTI-GM1 ANTIBODY BINDING COMPOUNDS POLYNEURON PHARMACEUTICALS AG (CH) 2022-10-27 WO disclosed