SCHEMBL6930978

SCHEMBL6930978

CC(=O)Nc1ccc(CC(=O)N2CC(=S)C[C@H]2C(=O)O)cc1.N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
YAP1 P46937 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AGTR2 P50052 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41
DPP4 P27487 1/20 0.40
FAP Q12884 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL8202004 0.93 DPP4 (0.45) LTA4HMEN1KMT2AYAP1LNPEP
SCHEMBL6933977 0.87 LTA4H (0.48) LTA4HAGTR2LNPEPDPP4FAP
SCHEMBL6935180 0.86 DPP4 (0.47) LTA4HYAP1LNPEPDPP4FAP
SCHEMBL7905108 0.85 GPR132 (0.43) LTA4HMEN1KMT2AYAP1DPP4
SCHEMBL6930651 0.84 AGTR2 (0.43) LTA4HMEN1KMT2AYAP1AGTR2
SCHEMBL6934867 0.82 LTA4H (0.39) LTA4HDPP4DPP8DPP7
SCHEMBL6935321 0.82 DPP4 (0.45) LTA4HYAP1LNPEPDPP4FAP
SCHEMBL6935894 0.82 YAP1 (0.48) LTA4HYAP1LNPEPDPP4FAP
SCHEMBL6934215 0.80 DPP4 (0.42) LTA4HYAP1LNPEPDPP4FAP
SCHEMBL7908667 0.79 DPP4 (0.44) LTA4HYAP1ALDH1A1SMN1; SMN2LNPEP

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
EP-0984981-B1 ANTI-INFLAMMATORY TYROSINE DERIVATIVES CELLTECH THERAPEUTICS LTD (GB) 2003-12-17 EP disclosed
US-6093696-A N-ACETYL-D-THIOPROLINE-(O-2,6-DICHLOROBENZYL)-L-TYROSINE, FOR EXAMPLE; SELECTIVELY INHIBIT THE ALPHA 4 SUBGROUP OF INTEGRINS FROM BINDING TO THEIR LIGANDS; USE IN PROPHYLAXIS OR TREATMENT OF IMMUNE OR INFLAMMATORY DISEASES CELLTECH THERAPEUTICS, LIMITED (GB) 2000-07-25 US disclosed