SCHEMBL29907252

SCHEMBL29907252

OCc1cccc2c1OCO2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EED O75530 3/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
KDM4C Q9H3R0 1/20 0.44
LMNA P02545 2/20 0.43
FAAH O00519 1/20 0.43
MTNR1A P48039 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
AOC3 Q16853 1/20 0.39
GSK3B P49841 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL506237 1.00 EED (0.46) EEDABCG2KDM4CLMNAFAAH
SCHEMBL2260257 0.86 MTNR1A (0.57) LMNAMTNR1AKDM4E
SCHEMBL4130192 0.84 KDM4C (0.46) EEDABCG2KDM4CLMNAFAAH
SCHEMBL30360690 0.84 KDM4C (0.46) EEDABCG2KDM4CLMNAFAAH
SCHEMBL3077223 0.82 MTNR1A (0.50) EEDMTNR1AL3MBTL1KDM4E
SCHEMBL30583847 0.82 MTNR1A (0.40) EEDABCG2KDM4CLMNAFAAH
SCHEMBL25477727 0.79 EED (0.46) EEDABCG2KDM4CLMNAFAAH
SCHEMBL1145758 0.79 EED (0.46) EEDABCG2KDM4CLMNAFAAH
SCHEMBL700738 0.79 EED (0.46) EEDABCG2KDM4CLMNAFAAH
SCHEMBL1145761 0.79 EED (0.46) EEDABCG2KDM4CLMNAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4312947-A1 SELF-ADHESIVE FISSURE SEALANT Kulzer GmbH (DE) 2024-02-07 EP disclosed
EP-4312945-A1 SELF-ADHESIVE DENTAL MATERIAL Kulzer GmbH (DE) 2024-02-07 EP disclosed
CN-112047797-B Method for preparing alpha-alkyl substituted ketone compound 赣南医学院 2023-04-07 CN disclosed
WO-2022207877-A1 SELF-ADHESIVE DENTAL MATERIAL KULZER GMBH (DE) 2022-10-06 WO disclosed
WO-2022207879-A1 SELF-ADHESIVE FISSURE SEALANT KULZER GMBH (DE) 2022-10-06 WO disclosed