SCHEMBL436853

SCHEMBL436853

CC(C)C[CH]c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39

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
SCHEMBL435684 0.81 LMNA (0.34) TDP1LMNATP53HTTMAPT
SCHEMBL27310983 0.81 TDP1 (0.46) TDP1GABRA1GABRG2GABRB3LMNA
SCHEMBL3397548 0.79 TDP1 (0.56) TDP1GABRA1GABRG2GABRB3TP53
SCHEMBL3407757 0.79 CYP3A4 (0.39) TDP1LMNATP53HTTALDH1A1
SCHEMBL7790462 0.75 TDP1 (0.56) TDP1GABRA1GABRG2GABRB3TP53
SCHEMBL8866182 0.74 TDP1 (0.50) TDP1GABRA1GABRG2GABRB3TP53
SCHEMBL18244067 0.74 TDP1 (0.54) TDP1GABRA1GABRG2GABRB3LMNA
SCHEMBL436098 0.71 HSD17B10 (0.46) LMNAHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL10321775 0.71 TDP1 (0.50) TDP1GABRA1GABRG2GABRB3LMNA
SCHEMBL5623488 0.71 TDP1 (0.50) TDP1GABRA1GABRG2GABRB3LMNA

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-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS 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