SCHEMBL21290176

SCHEMBL21290176

COc1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.52
KDM1A O60341 1/20 0.49
KMO O15229 1/20 0.40
DHFR P00374 1/20 0.40
LPL P06858 4/20 0.39
LIPG Q9Y5X9 4/20 0.39
SNCA P37840 1/20 0.39
S1PR1 P21453 7/20 0.38
CSF1R P07333 1/20 0.38
S1PR3 Q99500 1/20 0.36

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
SCHEMBL21290300 0.82 DGAT1 (0.46) DGAT1KDM1ALPLLIPGSNCA
SCHEMBL21125909 0.81 DGAT1 (0.67) DGAT1LPLLIPGSNCA
SCHEMBL29688083 0.80 DGAT1 (0.67) DGAT1LPLLIPGSNCA
SCHEMBL2697886 0.80 DGAT1 (0.67) DGAT1LPLLIPGSNCA
SCHEMBL6921637 0.79 CSF1R (0.49) LPLLIPGSNCACSF1R
SCHEMBL30197526 0.79 CSF1R (0.49) LPLLIPGSNCACSF1R
SCHEMBL21290175 0.79 DGAT1 (0.56) DGAT1KDM1ALPLLIPGSNCA
SCHEMBL16787665 0.78 DGAT1 (0.61) DGAT1KDM1ALPLLIPGCSF1R
SCHEMBL21125910 0.78 DGAT1 (0.57) DGAT1LPLLIPG
SCHEMBL21290302 0.78 MAPT (0.41) DGAT1KDM1ASNCACSF1R

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