SCHEMBL7902068

SCHEMBL7902068

CC(OC(C)(C)NC(C)(C)OC(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
NOS1 P29475 2/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 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
SCHEMBL26328504 0.82 CA12 (0.35) DGAT1CA12CA14CA1CA2
SCHEMBL5706172 0.73 DGAT1 (0.39) DGAT1CA12CA14CA1CA2
SCHEMBL7277029 0.71 NOS1 (0.36) DGAT1CA12CA14CA1CA2
SCHEMBL17093890 0.71 NOS1 (0.36) DGAT1CA12CA14CA1CA2
SCHEMBL3890536 0.71 CA12 (0.34) DGAT1CA12CA14CA1CA2
SCHEMBL17093771 0.71 NOS1 (0.36) DGAT1CA12CA14CA1CA2
SCHEMBL7277018 0.71 CA12 (0.34) DGAT1CA12CA14CA1CA2
SCHEMBL7361092 0.70 TSHR (0.44) DGAT1CA12CA14CA1CA2
SCHEMBL18206813 0.70 TSHR (0.44) DGAT1CA12CA14CA1CA2
SCHEMBL7361094 0.70 TSHR (0.44) DGAT1CA12CA14CA1CA2

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-1159255-A2 BIS(1,3-DIHYDROXY-PROP-2-YL)AMINE AND DERIVATIVES THEREOF IN THE MANUFACTURE OF POLYMERS ISIS INNOVATION LIMITED (GB) 2001-12-05 EP disclosed
WO-2000055111-A2 BIS(1,3-DIHYDROXY-PROP-2-YL)AMINE AND DERIVATIVES THEREOF IN THE MANUFACTURE OF POLYMERS ISIS INNOVATION LIMITED (GB) 2000-09-21 WO disclosed