SCHEMBL9263157

SCHEMBL9263157

CCCCN(C(=O)C1=COc2cc(O)c(C(C)(C)C)cc2O1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
ADRB2 P07550 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
GAA P10253 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
ADRA2C P18825 1/20 0.34
TP53 P04637 2/20 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
SCHEMBL9251017 0.82 ALDH1A1 (0.51) ALDH1A1MAPTADRB2TRPM8NPC1
SCHEMBL9262605 0.82 ALDH1A1 (0.51) ALDH1A1MAPTADRB2TRPM8NPC1
SCHEMBL9255559 0.82 MAPT (0.40) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL9262570 0.78 NR1H2 (0.37) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9261032 0.75 MAPT (0.48) ALDH1A1MAPTADRB2TRPM8NPC1
SCHEMBL9259471 0.74 ALOX15 (0.41) ALDH1A1MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL9261637 0.74 ALOX15 (0.41) ALDH1A1MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL9258671 0.71 SMN1; SMN2 (0.38) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9262112 0.70 MAPT (0.43) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9255807 0.70 MAPT (0.41) ALDH1A1MAPTADRB2TRPM8NPC1

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
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed