SCHEMBL8566932

SCHEMBL8566932

CC(C)(C)c1cccc(Oc2c[c]ccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SOD1 P00441 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
RAF1 P04049 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CETP P11597 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
SCHEMBL18118971 0.84 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19SOD1POLB
SCHEMBL919095 0.83 TEAD1 (0.46) CYP2C9CYP2C19POLBL3MBTL1MAPT
SCHEMBL2261145 0.83 CYP2C9 (0.49) CYP3A4CYP2C9CYP2C19SOD1POLB
SCHEMBL512275 0.83 MAPT (0.52) POLBLMNAHTTL3MBTL1MAPT
SCHEMBL15576545 0.82 CYP3A4 (0.57) CYP3A4CYP2C9CYP2C19SOD1POLB
SCHEMBL5671239 0.78 CYP2C9 (0.54) CYP3A4CYP2C9CYP2C19SOD1POLB
SCHEMBL8155454 0.78 LTA4H (0.43) MAPTALDH1A1
SCHEMBL920806 0.77 SMN1; SMN2 (0.53) CYP3A4POLBALDH1A1ACHE
SCHEMBL919378 0.77 ALDH1A1 (0.53) LMNAHTTL3MBTL1MAPTALDH1A1
SCHEMBL6154747 0.77 CYP3A4 (0.42) CYP3A4POLBLMNAHTTL3MBTL1

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
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed