SCHEMBL10969930

SCHEMBL10969930

COc1cc(S(=O)(=O)OC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ PRKDC P78527 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.43
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42

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
SCHEMBL6524012 0.83 TRPV4 (0.47) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL10778338 0.82 ALDH1A1 (0.62) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL10915526 0.81 LMNA (0.43) ALDH1A1CYP3A4MAPTHPGDPOLB
SCHEMBL2087809 0.78 ALDH1A1 (0.63) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL11135612 0.78 ALDH1A1 (0.58) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL10925657 0.77 SMN1; SMN2 (0.43) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL10911114 0.77 ALDH1A1 (0.51) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL11323532 0.77 ALDH1A1 (0.43) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL6370055 0.76 ALDH1A1 (0.57) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL8542441 0.75 ALDH1A1 (0.51) ALDH1A1KDM4ECYP3A4MAPTALOX15

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-0146007-A1 Process for the preparation of 5-hydroxyethylsulphonyl-2-aminophenol (or ethers) HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-26 — — EP disclosed
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