SCHEMBL7686932

SCHEMBL7686932

CC1(C)C2CCC1(C)C(OCCOCCO)C2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 5/20 0.46
HTT P42858 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PLA2G1B P04054 1/20 0.45
MAPK1 P28482 1/20 0.45
RAD52 P43351 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45

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
SCHEMBL7689239 1.00 KMT2A (0.49) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL4931645 0.92 KMT2A (0.52) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL5824294 0.92 ALDH1A1 (0.54) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL5824224 0.92 ALDH1A1 (0.54) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL7688059 0.88 ALDH1A1 (0.56) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL17630047 0.86 LMNA (0.50) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL9159085 0.84 LMNA (0.50) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL10075953 0.82 ALDH1A1 (0.54) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL31350080 0.80 KMT2A (0.46) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL10408480 0.79 ALDH1A1 (0.51) KMT2AKDM4EALDH1A1LMNAHTT

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
JP-11310545-A None JP disclosed
US-6395689-B1 TRACTION FLUID, PERFUMES, CHEMICAL INTERMEDIATES, SOLVENTS CLARIANT GMBH (DE) 2002-05-28 US disclosed
JP-H11310545-A NEW TERPENE ETHER AND ITS USE CLARIANT GMBH 1999-11-09 JP disclosed