SCHEMBL434060

SCHEMBL434060

Brc1cc[c]c(C2CCCCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6446557 0.90
SCHEMBL1778645 0.78 KMO (0.40) KMT2AKDM4EMAPTL3MBTL1
SCHEMBL2190332 0.77 HSP90AB1 (0.36) MAPT
SCHEMBL1777247 0.77 NPC1 (0.38) PTGDR2KMT2AKDM4EMAPTNPC1
SCHEMBL7838303 0.77 PTGDR2 (0.35) PTGDR2MEN1KMT2AKDM4ENPC1
SCHEMBL10631828 0.77 CEL (0.36) PTGDRPTGDR2MEN1KMT2ANPC1
SCHEMBL433060 0.77 PTGDR2 (0.35) PTGDR2MEN1KMT2AKDM4ENPC1
SCHEMBL434766 0.77 CEL (0.36) PTGDRPTGDR2MEN1KMT2ANPC1
SCHEMBL28299092 0.76 HDAC8 (0.38) KMT2AMAPT
SCHEMBL9730874 0.74 PTGDR2 (0.33) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed