SCHEMBL11033240

SCHEMBL11033240

CC(C)(C)OC(=O)N1CC1C(=O)NCC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ABCB1 P08183 1/20 0.45
HDAC8 Q9BY41 2/20 0.44
PTPN1 P18031 1/20 0.44
CMA1 P23946 1/20 0.43
FKBP1A P62942 1/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL5493243 0.91 HTT (0.48) HTTMEN1KMT2AABCB1HDAC8
SCHEMBL13062784 0.89 HTT (0.49) HTTMEN1KMT2AABCB1POLB
SCHEMBL3778450 0.89 HTT (0.49) HTTMEN1KMT2AABCB1POLB
SCHEMBL13745767 0.87 KMT2A (0.58) HTTMEN1KMT2ACMA1FKBP1A
SCHEMBL5494817 0.87 KMT2A (0.58) HTTMEN1KMT2ACMA1FKBP1A
SCHEMBL17896181 0.83 FKBP1A (0.51) ABCB1FKBP1APDK1PDK2PDK3
SCHEMBL17893034 0.83 FKBP1A (0.51) ABCB1FKBP1APDK1PDK2PDK3
SCHEMBL8332542 0.83 FKBP1A (0.51) ABCB1FKBP1APDK1PDK2PDK3
SCHEMBL28974731 0.82 HTT (0.62) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL28974730 0.82 HTT (0.62) HTTMEN1KMT2ANPC1RAB9A

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
JP-59067259-A None JP disclosed
JP-S5967259-A PREPARATION OF N-CONTAINING 3- OR 5-MEMBERED CYCLIC COMPOUND OKAWA KENJI 1984-04-16 JP disclosed