SCHEMBL7971874

SCHEMBL7971874

Cc1ccc(C(=O)OC(=O)OSCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 8/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 2/20 0.38
HTT P42858 2/20 0.38
ATM Q13315 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
NLRP1 Q9C000 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
NTSR1 P30989 1/20 0.38
S100A4 P26447 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
SCHEMBL7210669 0.82 TDP1 (0.64) TDP1ALDH1A1CES2CES1LMNA
SCHEMBL1260097 0.81 LMNA (0.48) TDP1ALDH1A1CES2CES1LMNA
SCHEMBL6925882 0.81 MAPT (0.44) TDP1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6654554 0.78 TDP1 (0.70) TDP1ALDH1A1CES2CES1LMNA
SCHEMBL248492 0.78 TDP1 (0.70) TDP1ALDH1A1CES2CES1LMNA
SCHEMBL5971482 0.75 TDP1 (0.59) TDP1ALDH1A1CES2CES1LMNA
SCHEMBL10004123 0.74 TDP1 (0.64) TDP1ALDH1A1CES2CES1LMNA
SCHEMBL11416304 0.74 TDP1 (0.53) TDP1ALDH1A1CES2CES1LMNA
SCHEMBL776223 0.72 TDP1 (0.61) TDP1ALDH1A1CES2CES1LMNA
SCHEMBL11786927 0.72 TDP1 (0.61) TDP1ALDH1A1CES2CES1LMNA

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
US-6294545-B1 INSECTICIDES SYNGENTA LIMITED (GB) 2001-09-25 US disclosed
EP-0944319-A1 INSECTICIDAL COMPOSITIONS AND METHODS ZENECA LIMITED (GB) 1999-09-29 EP disclosed
WO-1998023158-A1 INSECTICIDAL COMPOSITIONS AND METHODS ZENECA LIMITED (GB) 1998-06-04 WO disclosed