SCHEMBL7324428

SCHEMBL7324428

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.44
HDAC1 Q13547 2/20 0.41
PSMB1 P20618 2/20 0.40
PSMB5 P28074 2/20 0.40
PSMB2 P49721 2/20 0.40
SYK P43405 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
EPHX2 P34913 1/20 0.39
BCL2 P10415 1/20 0.39

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
SCHEMBL7327990 0.84 LTA4H (0.47) LTA4HHDAC1HDAC3HDAC4HDAC7
SCHEMBL10378291 0.81 LTA4H (0.39) LTA4HHDAC1PSMB1PSMB5PSMB2
SCHEMBL7330386 0.81 PSMB1 (0.42) LTA4HPSMB1PSMB5PSMB2SYK
SCHEMBL10378284 0.80 LTA4H (0.45) LTA4HHDAC1PSMB1PSMB5PSMB2
SCHEMBL7275476 0.75 BCHE (0.56) LTA4HHDAC1EPHX2
SCHEMBL7323405 0.74 SYK (0.46) SYK
SCHEMBL6431215 0.73 PRKCA (0.60) LTA4HHDAC1SYKBCL2
SCHEMBL7322415 0.72 SPHK1 (0.33)
SCHEMBL7333441 0.72 SPHK1 (0.33)
SCHEMBL7328746 0.72 SYK (0.38) SYK

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