SCHEMBL8100581

SCHEMBL8100581

CC1(C)COC(C)(CCCc2ccc(Cl)cc2)N1C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRNA3 P32297 1/20 0.35

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
SCHEMBL6048041 0.79 HMOX1 (0.40)
SCHEMBL11206802 0.71 MAPK1 (0.43) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL11203232 0.69 ABCB11 (0.41) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL11208529 0.68 HDAC3 (0.43) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL11264433 0.68 LMNA (0.68) LMNAMEN1HTTKMT2ASMN1; SMN2
SCHEMBL11360364 0.67 KCNH2 (0.43) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL22728705 0.67 NAAA (0.39) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL11269019 0.67 ABCB11 (0.48) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL11639984 0.66 TAAR1 (0.42)
Clomoxir SCHEMBL112980 0.66 ABCB11 (0.47) NAAAHDAC3HDAC4HDAC1HDAC7

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
JP-2000159766-A PRODUCTION OF IMIDAZOLE DERIVATIVE UBE IND LTD 2000-06-13 JP disclosed