SCHEMBL8635244

SCHEMBL8635244

CCOc1ccc(B2OCC(CC)CO2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
FPR2 P25090 14/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL8640332 0.89 KDM1A (0.33) KDM1AFPR2
SCHEMBL8638542 0.86 KDM1A (0.32) KDM1AFPR2L3MBTL1
SCHEMBL8644692 0.85 KDM1A (0.32) KDM1AFPR2L3MBTL1
SCHEMBL8640119 0.84 ALDH1A1 (0.31) KDM1AFPR2
SCHEMBL8644919 0.84 ALDH1A1 (0.31) KDM1AFPR2
SCHEMBL9571160 0.83 HTR2C (0.33) FPR2
SCHEMBL7859904 0.77 KDM1A (0.38) KDM1AL3MBTL1
SCHEMBL8639069 0.77 CTSL (0.31)
SCHEMBL9571120 0.72 HTR2C (0.32)
SCHEMBL17527769 0.71 L3MBTL1 (0.48) KDM1AL3MBTL1

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-0440082-B1 Method for the conversion of fluorinated aromatic compounds using electrophiles MERCK PATENT GMBH (DE) 1998-04-15 EP disclosed
US-5262556-A Alkylation or hydroxyalkylation by deprotonation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-11-16 US disclosed
EP-0440082-A2 Method for the conversion of fluorinated aromatic compounds using electrophiles MERCK PATENT GmbH (DE) 1991-08-07 EP disclosed