SCHEMBL3706484

SCHEMBL3706484

COCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
PRKCE Q02156 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MYLK Q15746 2/20 0.46
PRKCG P05129 1/20 0.46
PRKCA P17252 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
HSPA5 P11021 2/20 0.41
CYP2C9 P11712 5/20 0.40
CYP2C19 P33261 5/20 0.40
CYP1A2 P05177 4/20 0.40
HIF1A Q16665 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL18177313 0.86 ALDH1A1 (0.46) ALDH1A1MAPTPRKCEMEN1KMT2A
SCHEMBL6057485 0.79 ALDH1A1 (0.46) ALDH1A1MAPTPRKCEMEN1KMT2A
SCHEMBL5513040 0.79 CA2 (0.41) ALDH1A1MAPTPRKCEMEN1KMT2A
SCHEMBL12309156 0.79 HSPA5 (0.68) ALDH1A1MAPTPRKCEMEN1KMT2A
SCHEMBL15413361 0.78 ALDH1A1 (0.48) ALDH1A1MAPTPRKCEMEN1KMT2A
SCHEMBL15173818 0.76 CA2 (0.59) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL30631016 0.75 ALDH1A1 (0.39) ALDH1A1MAPTPRKCEMEN1KMT2A
SCHEMBL38917 0.73 CA2 (0.55) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL2114143 0.73 CYP2C19 (0.55) ALDH1A1MAPTPRKCEMEN1KMT2A
SCHEMBL1783421 0.71 CYP1A2 (0.53) ALDH1A1MAPTMEN1KMT2ATDP1

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
WO-2010083303-A1 PROCESSES FOR PRODUCTION OF MACROMOLECULAR AMINE-PHENOLIC ANTIOXIDANT COMPOSITIONS CONTAINING LOW AMOUNTS OF NON-MACROMOLECULAR BYPRODUCTS ALBEMARLE CORPORATION (US) 2010-07-22 WO disclosed