SCHEMBL24444501

SCHEMBL24444501

NC(=O)CCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 16/20 0.72
CA1 P00915 15/20 0.72
CA2 P00918 15/20 0.72
CA12 O43570 7/20 0.72
CA14 Q9ULX7 3/20 0.70
CA7 P43166 2/20 0.70
ADORA3 P0DMS8 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58
USP2 O75604 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
FKBP1A P62942 1/20 0.57

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
SCHEMBL13915130 0.93 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL12678101 0.92 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL23027406 0.91 CA1 (0.68) CA9CA1CA2CA12CA14
SCHEMBL13815114 0.91 CA1 (0.71) CA9CA1CA2CA12CA14
SCHEMBL22030342 0.91 CA1 (0.67) CA9CA1CA2CA12CA14
SCHEMBL13219607 0.90 CA1 (0.72) CA9CA1CA2CA12CA14
SCHEMBL5057133 0.90 CA9 (0.64) CA9CA1CA2CA12CA14
SCHEMBL24817798 0.90 CA1 (0.65) CA9CA1CA2CA12CA14
SCHEMBL19426705 0.90 CA9 (0.71) CA9CA1CA2CA12CA14
SCHEMBL20622624 0.89 CA9 (0.75) CA9CA1CA2CA12CA14

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-4001290-A1 TRITERPENE SAPONIN ANALOGUES Adjuvance Technologies, Inc. (US) 2022-05-25 EP disclosed