SCHEMBL21764400

SCHEMBL21764400

CC1(C)OB(c2cccc3c2Oc2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2-3)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.37
LIPG Q9Y5X9 4/20 0.37
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 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
SCHEMBL17485149 0.83 KDM4E (0.40) LPLLIPGATMKDM4EMAPK1
SCHEMBL18563346 0.82 AHR (0.43) LPLLIPG
SCHEMBL17816655 0.80 LPL (0.32) LPLLIPG
SCHEMBL17072806 0.80 LPL (0.36) LPLLIPGKDM4E
SCHEMBL20565735 0.80 LPL (0.43) LPLLIPG
SCHEMBL22181580 0.79 LPL (0.31) LPLLIPG
SCHEMBL15714115 0.79 LPL (0.33) LPLLIPG
SCHEMBL29808354 0.79 LPL (0.33) LPLLIPG
SCHEMBL30996969 0.77 LPL (0.32) LPLLIPG
SCHEMBL15600587 0.77 MAPK1 (0.40) LPLLIPGATMKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227269-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed