SCHEMBL6569877

SCHEMBL6569877

CC[C@](NC(=O)OC(C)(C)C)(C(=O)S)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ACSS2 Q9NR19 1/20 0.39
AKT1 P31749 3/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
SYK P43405 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
CTSK P43235 4/20 0.38
CTSS P25774 3/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL7319974 0.88 CA12 (0.43) CA12CA1CA7CA14ACSS2
SCHEMBL27158981 0.88 CA12 (0.43) CA12CA1CA7CA14ACSS2
SCHEMBL27159095 0.80 CTSK (0.41) CA12CA1CA7CA14AKT1
SCHEMBL27204213 0.80 CTSK (0.41) CA12CA1CA7CA14AKT1
SCHEMBL3018218 0.78 CA12 (0.43) CA12CA1CA7CA14ACSS2
SCHEMBL2525924 0.77 CTSS (0.43) CA12CA1CA7CA14SYK
SCHEMBL16245145 0.77 CTSS (0.43) CA12CA1CA7CA14SYK
SCHEMBL28318676 0.77 KCNN4 (0.46) CA12CA1CA7CA14AKT1
SCHEMBL24096094 0.76 CYP2C19 (0.41) CA12CA1CA7CA14AKT1
SCHEMBL7837146 0.75 MEN1 (0.39) CA12CA1CA7CA14AKT1

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
EP-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP disclosed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed