SCHEMBL6238001

SCHEMBL6238001

CCOC(OCC)c1cc(C)cc(O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
SELE P16581 1/20 0.37
TRPA1 O75762 2/20 0.33
LMNA P02545 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
APEX1 P27695 1/20 0.32
MPI P34949 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 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
SCHEMBL6242574 0.74 CA1 (0.43) ACHETRPA1LMNASLC6A2HTR2B
SCHEMBL5393005 0.72 BCHE (0.33) ACHETRPA1ADRA1AKDM4EALDH1A1
SCHEMBL5388784 0.72 CYP3A4 (0.40) TRPA1LMNAKDM4EALDH1A1GAA
SCHEMBL5384908 0.72 SCN5A (0.34) ACHETRPA1LMNACHRM1SLC6A2
SCHEMBL7020412 0.71 ACHE (0.59) ACHESELLSELPSELETRPA1
SCHEMBL18357201 0.71 ACHE (0.59) ACHESELLSELPSELETRPA1
SCHEMBL9499181 0.68 ACHE (0.48) ACHESELLSELPSELETRPA1
SCHEMBL5377925 0.68 TYR (0.44)
SCHEMBL5382040 0.68 CA12 (0.43) LMNAALDH1A1
SCHEMBL31464251 0.68 CA12 (0.43) LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534227-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-01 EP disclosed
WO-2004022016-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-18 WO disclosed