SCHEMBL7435653

SCHEMBL7435653

CCC(C(=O)OC(C)(C)C)C(O)(C(=O)OC)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CA12 O43570 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
SCHEMBL15672769 0.74 CA1 (0.36) DGAT1USP2LMNACA1CA2
SCHEMBL28376281 0.73 NOS1 (0.33) LMNACA1CA2CTSSCTSK
SCHEMBL30906944 0.71 DGAT1 (0.32) DGAT1
SCHEMBL6116336 0.71 CYP2C9 (0.35) DGAT1LMNACA1CA2CTSS
SCHEMBL27578195 0.70 CTSS (0.36) CTSSCTSK
SCHEMBL27550061 0.70 CTSS (0.36) CTSSCTSK
SCHEMBL12470023 0.69 CTSK (0.38) LMNACA1CA2CTSSCTSK
SCHEMBL8928053 0.67 CA1 (0.42) DGAT1USP2LMNACA1CA2
SCHEMBL4477961 0.67 CA1 (0.42) DGAT1CA1CA2CTSSCTSK
SCHEMBL7081408 0.67 CTSS (0.40) CTSSCTSK

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-1180099-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066550-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 WO disclosed