SCHEMBL6474328

SCHEMBL6474328

CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 7/20 0.48
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
YAP1 P46937 2/20 0.42
REN P00797 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 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
SCHEMBL7535034 1.00 CACNA1B (0.48) CACNA1BHPGDMAPK1ALDH1A1LMNA
SCHEMBL7536860 0.90 CACNA1B (0.50) CACNA1BMAPK1ALDH1A1LMNAYAP1
SCHEMBL6479164 0.90 CACNA1B (0.50) CACNA1BMAPK1ALDH1A1LMNAYAP1
Hydrochloric Acid SCHEMBL6480368 0.90 CACNA1B (0.49) CACNA1BMAPK1ALDH1A1LMNAYAP1
Hydrochloric Acid SCHEMBL7540812 0.90 CACNA1B (0.49) CACNA1BMAPK1ALDH1A1LMNAYAP1
SCHEMBL6473065 0.85 MAPK1 (0.52) CACNA1BMAPK1YAP1
Hydrochloric Acid SCHEMBL6691609 0.85 CACNA1B (0.45) CACNA1BMAPK1ALDH1A1LMNAYAP1
Hydrochloric Acid SCHEMBL6691605 0.85 CACNA1B (0.45) CACNA1BMAPK1ALDH1A1LMNAYAP1
SCHEMBL6686538 0.84 CACNA1B (0.49) CACNA1BYAP1KMT2AMEN1ITGB1
SCHEMBL6481358 0.84 CACNA1B (0.49) CACNA1BYAP1KMT2AMEN1ITGB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867192-B1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-03-15 US disclosed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP disclosed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO disclosed