SCHEMBL9195019

SCHEMBL9195019

COc1cc(C)c(OS(C)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40

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
SCHEMBL9406351 0.92 LMNA (0.38) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL2955974 0.85 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL9196811 0.81 CA12 (0.41) ALDH1A1MAPTALOX15HSD17B10HPGD
SCHEMBL9023831 0.81 VCAM1 (0.42) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL11645041 0.81 TSHR (0.44) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL8089043 0.79 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL10778338 0.79 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL9312984 0.78 S1PR4 (0.41) MAPTLMNAPOLBSMN1; SMN2
SCHEMBL29738113 0.78 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL6370714 0.78 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410471-B1 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same KAO CORP (JP) 1995-05-17 EP disclosed
US-5104414-A 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same KAO CORPORATION (JP) 1992-04-14 US disclosed
US-5015260-A Hair dyes for reaction with developer KAO CORPORATION (JP) 1991-05-14 US disclosed
EP-0410471-A2 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same Kao Corporation (JP) 1991-01-30 EP disclosed