SCHEMBL11216231

SCHEMBL11216231

O=C1OCCN1c1ccc(O)c(Cl)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CMA1 P23946 6/20 0.34
NAAA Q02083 2/20 0.34
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F10 P00742 2/20 0.33
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
DRD1 P21728 2/20 0.33
HTR2A P28223 2/20 0.33
DRD4 P21917 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
IDH1 O75874 2/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL11221987 0.79 CYP3A4 (0.37) CYP3A4MAPK1CMA1NAAAF10
SCHEMBL11216232 0.79 CMA1 (0.36) CMA1NAAAF10FPR1FPR2
SCHEMBL11223731 0.75 HSP90AA1 (0.39) CMA1NAAA
SCHEMBL14899249 0.75 GAA (0.42) NAAAHTTKMT2A
SCHEMBL22854543 0.73 NAAA (0.37) NAAAHTTLMNAKMT2ASMN1; SMN2
SCHEMBL12362782 0.73 F10 (0.39) CMA1NAAAF10
SCHEMBL28686162 0.73 CMA1 (0.46) CMA1
SCHEMBL23466566 0.71 KMT2A (0.53) CYP3A4NAAAHTTLMNAKMT2A
SCHEMBL29758148 0.71 KMT2A (0.53) CYP3A4NAAAHTTLMNAKMT2A
SCHEMBL29758149 0.71 KMT2A (0.53) CYP3A4NAAAHTTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0023257-B1 Dichloro-hydroxyethylamino phenols, process for their production, their use and hair dyeing compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1982-06-30 EP claimed
EP-0023257-A1 Dichloro-hydroxyethylamino phenols, process for their production, their use and hair dyeing compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-02-04 EP claimed
EP-0023257-A1 Dichloro-hydroxyethylamino phenols, process for their production, their use and hair dyeing compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-02-04 EP disclosed