SCHEMBL7086827

SCHEMBL7086827

Cc1cc(-c2cc(C)c(OCC(Cl)CO)c(C)c2)cc(C)c1OCC(Cl)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 11/20 0.41
GLA P06280 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
SCN1A P35498 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
NFKB1 P19838 2/20 0.34
CYP2C9 P11712 1/20 0.34
KCNK3 O14649 1/20 0.34
CACNA1F O60840 1/20 0.34
KCNK2 O95069 1/20 0.34
GBA1 P04062 1/20 0.34
MAOA P21397 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL7086826 0.76 CA1 (0.50) CYP1A2CYP2C9CA1CA2
SCHEMBL7083967 0.74 MAPT (0.46) SCN4AGLAMAPTLMNATSHR
SCHEMBL14441425 0.72 MAPT (0.47) SCN4AGLAMAPTLMNATSHR
SCHEMBL14128817 0.71 MAPT (0.44) SCN4AGLAMAPTLMNATSHR
SCHEMBL7088167 0.71 PRKCA (0.39) SCN4AGLAMAPTTSHRCYP2C9
SCHEMBL20118851 0.70 SCN4A (0.38) SCN4AGLAMAPTLMNATSHR
SCHEMBL14128865 0.69 MAPT (0.46) SCN4AGLAMAPTLMNATSHR
SCHEMBL7088388 0.69
SCHEMBL22432842 0.68 MAPT (0.48) SCN4AGLAMAPTLMNATSHR
SCHEMBL3072540 0.68 GLA (0.59) GLAMAPTLMNATSHRCYP1A2

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
US-20030149219-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom BORIACK CLINTON J (US) 2003-08-07 US claimed
US-6534621-B2 Epoxidizing an alpha-halohydrin intermediate produced from an in situ halide substitution-deesterification of an alpha-hydroxy ester derivative DOW GLOBAL TECHNOLOGIES INC. 2003-03-18 US claimed
US-20020045707-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. 2002-04-18 US claimed