SCHEMBL15073124

SCHEMBL15073124

CC(=O)N(C)CCC(=O)NCCOCCOCCOCCOCCC(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.43
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
POLB P06746 1/20 0.38
DRD2 P14416 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 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
SCHEMBL18249449 0.87 POLB (0.49) OPRK1CA12CA1CA2CA4
SCHEMBL14968453 0.84 POLB (0.46) OPRK1POLBHDAC3HDAC4HDAC1
SCHEMBL4400652 0.83 OPRK1 (0.46) OPRK1CA12CA1CA2CA4
SCHEMBL4401002 0.83 OPRK1 (0.46) OPRK1CA12CA1CA2CA4
SCHEMBL13643851 0.82 OPRK1 (0.49) OPRK1CA12CA1CA2CA4
SCHEMBL13892196 0.81 POLB (0.49) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL13643840 0.80 OPRK1 (0.52) OPRK1CA12CA1CA2CA4
SCHEMBL13643871 0.80 OPRK1 (0.52) OPRK1CA12CA1CA2CA4
SCHEMBL4397934 0.80 OPRK1 (0.45) OPRK1CA12CA1CA2CA4
SCHEMBL13643847 0.80 OPRK1 (0.45) OPRK1CA12CA1CA2CA4

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
WO-2013093720-A2 ANTI-DIABETIC COMPOUNDS PFIZER INC. (US) 2013-06-27 WO disclosed