SCHEMBL21290300

SCHEMBL21290300

COc1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)ncc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.46
LPL P06858 8/20 0.44
LIPG Q9Y5X9 8/20 0.44
SNCA P37840 1/20 0.43
CSF1R P07333 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
IDO1 P14902 4/20 0.35
TDO2 P48775 4/20 0.35
KDM1A O60341 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL21290176 0.82 DGAT1 (0.52) DGAT1LPLLIPGSNCACSF1R
SCHEMBL23018805 0.78 LIPG (0.59) DGAT1LPLLIPGSNCACA1
SCHEMBL21290304 0.76 SNCA (0.53) DGAT1LPLLIPGSNCACA1
SCHEMBL18015329 0.75 LIPG (0.57) DGAT1LPLLIPGSNCANPC1
SCHEMBL6921637 0.75 CSF1R (0.49) LPLLIPGSNCACSF1RCA1
SCHEMBL19933557 0.75 LIPG (0.56) DGAT1LPLLIPGSNCACA1
SCHEMBL30197526 0.75 CSF1R (0.49) LPLLIPGSNCACSF1RCA1
SCHEMBL21290177 0.75 IDO1 (0.45) DGAT1LPLLIPGIDO1TDO2
SCHEMBL21264517 0.75 DGAT1 (0.54) DGAT1LPLLIPGSNCACA1
SCHEMBL30536013 0.75 DGAT1 (0.54) DGAT1LPLLIPGSNCACA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 EP disclosed
EP-3601304-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
WO-2019158453-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-08-22 WO disclosed