SCHEMBL7713706

SCHEMBL7713706

CCSC(=O)OCOC(=O)CCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
HPGD P15428 10/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
RAB9A P51151 3/20 0.57
TSHR P16473 2/20 0.57
NPC1 O15118 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP3A4 P08684 1/20 0.57
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 3/20 0.54
NLRP1 Q9C000 1/20 0.53
TP53 P04637 1/20 0.52

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
SCHEMBL6887603 0.90 MAPT (0.58) MAPTHPGDSMN1; SMN2RAB9ATSHR
SCHEMBL7713695 0.86 TDP1 (0.64) MAPTHPGDSMN1; SMN2TSHRTDP1
SCHEMBL1090743 0.84 MAPT (0.74) MAPTHPGDSMN1; SMN2RAB9ATSHR
SCHEMBL7709886 0.83 MAPT (0.68) MAPTHPGDSMN1; SMN2RAB9ATSHR
SCHEMBL29435284 0.82 ALDH1A1 (0.78) MAPTHPGDSMN1; SMN2RAB9ATSHR
SCHEMBL6887600 0.82 MAPT (0.57) MAPTHPGDSMN1; SMN2RAB9ATSHR
SCHEMBL6889265 0.79 TDP1 (0.56) MAPTHPGDSMN1; SMN2RAB9ATSHR
SCHEMBL12998521 0.79 MAPT (1.00) MAPTHPGDSMN1; SMN2RAB9ATSHR
SCHEMBL28252827 0.79 MAPT (0.69) MAPTHPGDSMN1; SMN2RAB9ATSHR
SCHEMBL5080164 0.78 MAPT (0.72) MAPTHPGDSMN1; SMN2RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed