SCHEMBL11153597

SCHEMBL11153597

O=C(OCc1ccccc1)c1ccccc1OCc1ccccc1O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.66
▸ HTT P42858 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.55
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ POLB P06746 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ SGMS2 Q8NHU3 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ EGFR P00533 1/20 0.47

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
SCHEMBL4415350 0.87 HTT (0.75) TDP1HTTALDH1A1KMT2AMEN1
Salicylic Acid SCHEMBL6547019 0.86 TDP1 (0.70) TDP1HTTALDH1A1KMT2AMEN1
SCHEMBL9574717 0.85 HTT (0.73) TDP1HTTALDH1A1KMT2AMEN1
SCHEMBL3807238 0.84 TSHR (0.56) HTTALDH1A1KMT2AMEN1POLB
Benzyl Salicylate SCHEMBL29411199 0.83 TDP1 (0.75) TDP1HTTALDH1A1KMT2AMEN1
SCHEMBL30710169 0.83 TDP1 (0.52) TDP1HTTALDH1A1KMT2AGAA
SCHEMBL29687865 0.82 ALDH1A1 (0.65) TDP1HTTALDH1A1KMT2AMEN1
SCHEMBL38459 0.82 ALDH1A1 (0.69) TDP1HTTALDH1A1KMT2AMEN1
SCHEMBL27344933 0.81 ALDH1A1 (0.68) TDP1HTTALDH1A1KMT2AMEN1
SCHEMBL27320205 0.81 ALDH1A1 (0.68) TDP1HTTALDH1A1KMT2AMEN1

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
EP-0080271-A1 Indomethacin phenyl ester derivatives, their use, and compositions containing them TEIKOKU KAGAKU SANGYO K.K. (JP) 1983-06-01 — — EP disclosed
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