SCHEMBL7327990

SCHEMBL7327990

NCC(CO)C(N)C(=O)NC(=O)CCCCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.47
EPHX2 P34913 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MGLL Q99685 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL7324428 0.84 LTA4H (0.44) LTA4HEPHX2HDAC1HDAC3HDAC4
SCHEMBL10376907 0.78 LTA4H (0.43) LTA4H
SCHEMBL7320169 0.78 LTA4H (0.43) LTA4HEPHX2FFAR1FFAR4MGLL
Hydrochloric Acid SCHEMBL7324002 0.77 LTA4H (0.42) LTA4H
SCHEMBL20834076 0.73 FFAR1 (0.77) LTA4HEPHX2FFAR1FFAR4MGLL
SCHEMBL8889196 0.73 FFAR1 (0.77) LTA4HEPHX2FFAR1FFAR4MGLL
SCHEMBL28441593 0.72 FFAR1 (0.79) LTA4HEPHX2FFAR1FFAR4MGLL
SCHEMBL10685473 0.71 FFAR1 (0.61) LTA4HEPHX2FFAR1FFAR4MGLL
SCHEMBL10756304 0.70 FFAR1 (0.67) LTA4HEPHX2FFAR1FFAR4MGLL
SCHEMBL12040562 0.70 LTA4H (0.77) LTA4HEPHX2FFAR1FFAR4MGLL

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed