SCHEMBL435684

SCHEMBL435684

CC(C)C[CH]c1ccc(Cl)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PNMT P11086 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL434482 0.81 NFE2L2 (0.44) LMNAALDH1A1MAPTHPGDKDM4E
SCHEMBL436853 0.81 TDP1 (0.48) LMNATDP1ALDH1A1HSP90AA1MAPT
SCHEMBL27671787 0.81 F7 (0.38) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL27861715 0.77 TDP1 (0.38) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL3407757 0.76 CYP3A4 (0.39) LMNATDP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL28755621 0.76 LMNA (0.36) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL17514629 0.75 HTR2A (0.34) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL434629 0.73 NFE2L2 (0.48) MAPT
SCHEMBL9967763 0.73 NFE2L2 (0.37) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL140473 0.72 TDP1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2

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