SCHEMBL29135033

SCHEMBL29135033

CC(=O)OCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
TDP1 Q9NUW8 3/20 0.57
TSHR P16473 3/20 0.56
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NLRP1 Q9C000 1/20 0.55
S1PR4 O95977 7/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 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
SCHEMBL11626260 0.85 TDP1 (0.63) MAPTTDP1TSHRHPGDSMN1; SMN2
SCHEMBL28866574 0.84 TDP1 (0.64) MAPTTDP1TSHRHPGDSMN1; SMN2
SCHEMBL4763424 0.84 KDM4E (0.58) MAPTTDP1TSHRHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL11626257 0.84 TDP1 (0.61) MAPTTDP1TSHRHPGDSMN1; SMN2
SCHEMBL4209494 0.83 ALDH1A1 (0.47) MAPTTDP1TSHRHPGDSMN1; SMN2
SCHEMBL21596093 0.83 MAPT (0.59) MAPTTDP1TSHRHPGDSMN1; SMN2
SCHEMBL11413525 0.82 S1PR4 (0.66) MAPTTDP1S1PR4
SCHEMBL944568 0.82 FDPS (0.51) MAPTTDP1HPGDSMN1; SMN2RAB9A
SCHEMBL7945037 0.82 TDP1 (0.65) MAPTTDP1TSHRHPGDSMN1; SMN2
SCHEMBL25747855 0.81 KDM4E (0.47) MAPTTDP1HPGDSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520414-B Substituted N- (-1, 3, 4-oxadiazol-2-yl) aryl carboxamides and their use as herbicides 拜耳作物科学股份公司 2023-11-28 CN disclosed