SCHEMBL25612300

SCHEMBL25612300

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 5/20 0.40
▸ GSK3B P49841 4/20 0.40
▸ HDAC1 Q13547 4/20 0.40
▸ CA12 O43570 5/20 0.34
▸ CA1 P00915 5/20 0.34
▸ CA2 P00918 5/20 0.34
▸ CA9 Q16790 5/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ ADORA3 P0DMS8 3/20 0.33
▸ ADORA2A P29274 3/20 0.33
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ NCOR2 Q9Y618 1/20 0.31

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
SCHEMBL25612307 0.94 HDAC6 (0.39) HDAC6GSK3BHDAC1CA12CA1
SCHEMBL12518496 0.89 KDM4C (0.40) HDAC6GSK3BHDAC1CA12CA1
SCHEMBL15004023 0.88 KDM4C (0.37) HDAC6GSK3BHDAC1CA12CA1
SCHEMBL18625282 0.85 KDM4C (0.35) CA12CA1CA2CA9KDM4C
SCHEMBL16602269 0.83 KDM4C (0.32) KDM4C
SCHEMBL14367912 0.82 KDM4C (0.34) KDM4C
SCHEMBL10110874 0.81 KDM4C (0.31) KDM4C
SCHEMBL16522851 0.81 — —
SCHEMBL14999650 0.78 — —
SCHEMBL14392241 0.77 KDM4E (0.36) —

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-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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