SCHEMBL7721832

SCHEMBL7721832

Cc1cc[n+]([O-])cc1.Cc1cccc[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
ACHE P22303 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HDAC8 Q9BY41 1/20 0.31
MEN1 O00255 1/20 0.31
SLC2A1 P11166 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL342857 0.87
SCHEMBL29457102 0.87
SCHEMBL29033246 0.84
Hydrochloric Acid SCHEMBL11323345 0.84
Methane SCHEMBL28783714 0.84
SCHEMBL158515 0.79
Water SCHEMBL20543428 0.77
Toluene SCHEMBL8859923 0.75 ACHE (0.58) LMNAHTTTSHRALOX12ACHE
SCHEMBL11746038 0.73 RAB9A (0.41) LMNAHTTRAB9ANPC1POLB
Chloranil SCHEMBL8505358 0.72 IDO1 (0.40) LMNAHTTTSHRALOX12ACHE

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
US-6379474-B1 ACIDIC AQUEOUS PHOSPHATING SOLUTIONS WITH ZINC ION, PHOSPHATE AND ORGANIC N-OXIDE PROMOTER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-30 US disclosed