SCHEMBL6472884

SCHEMBL6472884

CC(C)C[C@H](NC(=O)COc1ccc2ccccc2c1Br)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
PRNP P04156 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTPN1 P18031 1/20 0.40
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
ITGB7 P26010 2/20 0.40
CASP1 P29466 5/20 0.39
CASP7 P55210 5/20 0.39
CASP3 P42574 4/20 0.39
CASP6 P55212 4/20 0.39
CASP8 Q14790 4/20 0.39
CTSD P07339 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL6482015 0.89 TSHR (0.49) KMT2APRNPRXFP1PTPN1ITGB1
SCHEMBL6478370 0.87 KMT2A (0.47) KMT2AALDH1A1GLAPOLBITGB1
SCHEMBL6474104 0.86 KMT2A (0.45) KMT2AALDH1A1POLBITGB1ITGA4
SCHEMBL6474262 0.84 KMT2A (0.51) KMT2AALDH1A1ITGB1ITGA4ITGB7
SCHEMBL6481251 0.84 RAB9A (0.42) PRNPRXFP1PTPN1ITGB1ITGA4
SCHEMBL6532390 0.83 CASP1 (0.49) KMT2AALDH1A1ITGB1ITGA4ITGB7
SCHEMBL6664985 0.80 CASP1 (0.40) KMT2AALDH1A1GLAPOLBPRNP
SCHEMBL6481231 0.78 ITGB1 (0.46) ALDH1A1ITGB1ITGA4ITGB7CASP1
SCHEMBL6474590 0.78 ITGB1 (0.49) KMT2AITGB1ITGA4ITGB7LMNA
SCHEMBL6479143 0.78 ITGB1 (0.45) ITGB1ITGA4ITGB7CASP1CASP7

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 8 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 claimed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP claimed
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP claimed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO claimed
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