SCHEMBL4765077

SCHEMBL4765077

COc1cccc2cc(C(=O)NC(CC(C)C)C(=O)N([C@H]3CCCNCC3=O)S(=O)(=O)c3cccs3)oc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 3/20 0.36
CHRNA7 P36544 2/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
MCHR1 Q99705 1/20 0.35
PPARG P37231 2/20 0.35
NCOR2 Q9Y618 2/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
CTSK P43235 1/20 0.34
MMP2 P08253 1/20 0.34
MMP14 P50281 1/20 0.34
BMP1 P13497 1/20 0.34
MMP12 P39900 1/20 0.34
CHRNB2 P17787 1/20 0.34

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
SCHEMBL4765538 0.90 CTSK (0.37) ALDH1A1KDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL4767079 0.89 TAS1R3 (0.38) ALDH1A1KDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL4763065 0.89 MMP2 (0.37) ALDH1A1KDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL4767072 0.89 TAS1R3 (0.38) ALDH1A1KDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL4761879 0.89 MMP2 (0.37) ALDH1A1KDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL4762139 0.89 CTSK (0.46) ALDH1A1TAS1R3TAS1R1MAPTPOLB
SCHEMBL6590286 0.88 KDM4E (0.36) ALDH1A1KDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL4764937 0.88 TAS1R3 (0.37) ALDH1A1KDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL6590290 0.88 KDM4E (0.36) ALDH1A1KDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL4764936 0.88 TAS1R3 (0.37) ALDH1A1KDM4ERAB9ASMN1; SMN2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed