SCHEMBL7538573

SCHEMBL7538573

CC(C)C[C@H](NC(=O)COc1ccccc1C1CCCCC1)C(=O)N[C@@H](C)C(=O)Oc1ccc(OC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.51
CASP3 P42574 6/20 0.51
CASP7 P55210 6/20 0.51
CASP6 P55212 6/20 0.51
CASP8 Q14790 6/20 0.51
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6532390 0.90 CASP1 (0.49) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6661977 0.83 CASP1 (0.47) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6479150 0.79 CASP1 (0.52) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6478370 0.78 KMT2A (0.47) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6472835 0.77 CASP1 (0.51) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6474104 0.77 KMT2A (0.45) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6474177 0.75 CASP1 (0.49) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6478978 0.74 CASP1 (0.48) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6472884 0.73 KMT2A (0.43) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6474262 0.71 KMT2A (0.51) KMT2AALDH1A1LMNASMN1; SMN2

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-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