SCHEMBL15909248

SCHEMBL15909248

COC(=O)CCCCCCCCc1ccc(CCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
EPHX2 P34913 2/20 0.43
FAAH O00519 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41

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
SCHEMBL15908887 0.87 MAPT (0.56) HDAC8FAAH
SCHEMBL4183681 0.86 CYP4A11 (0.52) HPGDEPHX2FAAHPDE3BPDE3A
SCHEMBL1743875 0.86 CYP4A11 (0.52) HPGDEPHX2FAAHPDE3BPDE3A
SCHEMBL8997287 0.84 CYP4A11 (0.54) HPGDEPHX2FAAHPDE3BPDE3A
SCHEMBL10982252 0.84 CYP4F2 (0.50) ADRB2ADRB1CYP4F2CYP4A11
SCHEMBL7971302 0.84 HDAC8 (0.44) HDAC8FAAH
SCHEMBL7968451 0.84 HDAC8 (0.44) HDAC8FAAH
SCHEMBL7970617 0.84 HDAC8 (0.44) HDAC8FAAH
SCHEMBL7955579 0.84 HDAC8 (0.44) HDAC8FAAH
SCHEMBL25262780 0.83 CYP4F2 (0.60) ADRB2ADRB1CYP4F2CYP4A11

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-8796205-B2 Insulin derivative NOVO NORDISK A/S (DK) 2014-08-05 US disclosed