SCHEMBL11141900

SCHEMBL11141900

CCCCN(CCCC)C(=O)Nc1ccc(C)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
ALDH1A1 P00352 5/20 0.52
MAPT P10636 3/20 0.52
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
GAA P10253 1/20 0.50
HDAC1 Q13547 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
CYP1A2 P05177 2/20 0.48

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
SCHEMBL31179993 0.88 CA12 (0.49) POLBALDH1A1MAPTCA12CA1
SCHEMBL11144238 0.88 CA12 (0.49) POLBALDH1A1MAPTCA12CA1
SCHEMBL11138571 0.87 HPGD (0.60) POLBALDH1A1MAPTCA12CA1
SCHEMBL11754989 0.87 POLB (0.53) POLBALDH1A1MAPTGAAHDAC1
SCHEMBL11138092 0.83 HDAC6 (0.51) POLBCA12CA1CA2CA9
SCHEMBL20865556 0.82 CA12 (0.44) POLBALDH1A1MAPTCA12CA1
SCHEMBL11138778 0.81 APEX1 (0.60) POLBALDH1A1CA12CA1CA2
SCHEMBL11135753 0.81 CA12 (0.60) POLBCA12CA1CA2CA9
SCHEMBL22203912 0.81 CA12 (0.43) POLBALDH1A1MAPTCA12CA1
SCHEMBL11140844 0.80 CA12 (0.48) CA12CA1CA2CA9HDAC1

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-4387105-A ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY 1983-06-07 US claimed
US-4387105-A ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY 1983-06-07 US disclosed