SCHEMBL21186772

SCHEMBL21186772

CC(C)CCC(=O)NCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.65
▸ CA1 P00915 15/20 0.65
▸ CA2 P00918 15/20 0.65
▸ CA12 O43570 7/20 0.65
▸ CA14 Q9ULX7 3/20 0.65
▸ CA7 P43166 2/20 0.65
▸ ELF3 P78545 2/20 0.57
▸ MED23 Q9ULK4 2/20 0.57
▸ PTGER3 P43115 1/20 0.55

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
SCHEMBL14089612 0.94 CA9 (0.66) CA9CA1CA2CA12CA14
SCHEMBL12185010 0.93 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL15958213 0.90 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL21391543 0.89 CA9 (0.69) CA9CA1CA2CA12CA14
SCHEMBL14032096 0.88 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL17793595 0.88 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL13012837 0.88 CA9 (0.60) CA9CA1CA2CA12CA14
SCHEMBL14032186 0.88 CA9 (0.67) CA9CA1CA2CA12CA14
SCHEMBL14089616 0.87 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL12185092 0.87 CA9 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019165237-A1 SEQUENCING METHOD FOR CAR T CELL THERAPY ENDOCYTE, INC. (US) 2019-08-29 — — WO disclosed
WO-2019144091-A1 METHODS OF USE FOR CAR T CELLS ENDOCYTE, INC. (US) 2019-07-25 — — WO disclosed
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