SCHEMBL25612307

SCHEMBL25612307

CC(=O)CCCCCNC(=S)Nc1ccc(C2=C3C=CC(=O)C=C3OC3C=C(O)C=CC23)c(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 5/20 0.39
▸ GSK3B P49841 4/20 0.39
▸ HDAC1 Q13547 4/20 0.39
▸ KDM4C Q9H3R0 1/20 0.35
▸ ADORA3 P0DMS8 4/20 0.34
▸ ADORA2A P29274 4/20 0.34
▸ CA12 O43570 4/20 0.32
▸ CA1 P00915 4/20 0.32
▸ CA2 P00918 4/20 0.32
▸ CA9 Q16790 4/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ NCOR2 Q9Y618 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30

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
SCHEMBL25612300 0.94 HDAC6 (0.40) HDAC6GSK3BHDAC1KDM4CADORA3
SCHEMBL12518496 0.90 KDM4C (0.40) HDAC6GSK3BHDAC1KDM4CADORA3
SCHEMBL10063378 0.89 KDM4C (0.35) HDAC6GSK3BHDAC1KDM4CADORA3
SCHEMBL15004023 0.89 KDM4C (0.37) HDAC6GSK3BHDAC1KDM4CADORA3
SCHEMBL18625282 0.86 KDM4C (0.35) KDM4CCA12CA1CA2CA9
SCHEMBL16602269 0.85 KDM4C (0.32) KDM4C
SCHEMBL14367912 0.83 KDM4C (0.34) KDM4C
SCHEMBL10110874 0.82 KDM4C (0.31) KDM4C
SCHEMBL14999650 0.80 — —
SCHEMBL16522851 0.80 — —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023139145-A1 SAPONIN-BASED ADJUVANTS AND VACCINES ASOCIACIÓN CENTRO DE INVESTIGACIÓN COOPERATIVA EN BIOCIENCIAS-CIC BIOGUNE (ES) 2023-07-27 — — WO disclosed
WO-2023099741-A1 SAPONIN-BASED ADJUVANTS AND VACCINES ASOCIACIÓN CENTRO DE INVESTIGACIÓN COOPERATIVA EN BIOCIENCIAS-CIC BIOGUNE (ES) 2023-06-08 — — WO disclosed
EP-4190359-A1 SAPONIN-BASED ADJUVANTS AND VACCINES Asociación Centro de Investigación Cooperativa en Biociencias - CIC bioGUNE (ES) 2023-06-07 — — EP disclosed
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