SCHEMBL29010247

SCHEMBL29010247

O=C(COc1ccc(Cl)cc1Cl)ON(CCO)CCO

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 2/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48

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
SCHEMBL27374184 0.84 TDP1 (0.61) TDP1ALDH1A1L3MBTL1TSHRMAPT
SCHEMBL5079305 0.81 TDP1 (0.62) TDP1ALDH1A1L3MBTL1TSHRHTT
SCHEMBL18214502 0.80 TDP1 (0.63) TDP1ALDH1A1L3MBTL1TSHRHTT
SCHEMBL18214500 0.80 TDP1 (0.63) TDP1ALDH1A1L3MBTL1TSHRHTT
SCHEMBL27375853 0.80 TDP1 (0.57) TDP1ALDH1A1L3MBTL1TSHRMAPT
2,4-Dichlorophenoxyacetic Acid SCHEMBL10595297 0.79 TDP1 (0.77) TDP1TSHRHTTMAPTSMN1; SMN2
2,4-Dichlorophenoxyacetic Acid SCHEMBL1829353 0.79 TDP1 (0.77) TDP1TSHRHTTMAPTSMN1; SMN2
SCHEMBL27554366 0.78 TDP1 (0.72) TDP1ALDH1A1L3MBTL1TSHRHTT
SCHEMBL25583200 0.78 TDP1 (0.66) TDP1ALDH1A1L3MBTL1TSHRHTT
SCHEMBL14361927 0.77 TDP1 (0.70) TDP1ALDH1A1L3MBTL1TSHRHTT

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-115989255-A Aqueous capsule suspension concentrate containing biodegradable ester groups 拜耳公司 2023-04-18 CN disclosed