SCHEMBL7365790

SCHEMBL7365790

CC1(Cc2ccccc2)C(=O)COC1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.47
GAA P10253 1/20 0.40
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
BACE1 P56817 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSG P08311 1/20 0.35
PRTN3 P24158 1/20 0.35
PGR P06401 1/20 0.35
EPHX2 P34913 1/20 0.34
CNR2 P34972 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
SCHEMBL17593127 0.82 ELANE (0.50) ELANEGAAITGB2ICAM1ITGAL
SCHEMBL28538161 0.76 ELANE (0.55) ELANEGAAITGB2ICAM1ITGAL
SCHEMBL3284001 0.76 ELANE (0.55) ELANEGAAITGB2ICAM1ITGAL
SCHEMBL16174913 0.73 ELANE (0.51) ELANEGAAITGB2ICAM1ITGAL
SCHEMBL7353378 0.72 ELANE (0.40) ELANEGAABACE1MAOAMAOB
SCHEMBL11696413 0.71 CNR2 (0.43) ELANEGAABACE1MAOAMAOB
SCHEMBL16174684 0.70 ELANE (0.45) ELANEMAOAMAOBNPSR1L3MBTL1
SCHEMBL29256181 0.70 ELANE (0.56) ELANEGAAITGB2ICAM1ITGAL
SCHEMBL16174938 0.69 ELANE (0.47) ELANEITGB2ICAM1ITGALNPSR1
SCHEMBL16174950 0.69 ELANE (0.47) ELANEITGB2ICAM1ITGALNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060600-A TREATMENT OF AIDS AND OTHER DISEASES CAUSED BY RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 2000-05-09 US disclosed
US-5977169-A FOR TREATMENT OF A PERSON WITH AIDS OR AIDS RELATED DISEASES PHARMACIA & UPJOHN COMPANY 1999-11-02 US disclosed
EP-0817786-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1998-01-14 EP disclosed
WO-1996029333-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1996-09-26 WO disclosed
EP-0720607-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1996-07-10 EP disclosed
WO-1995007901-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1995-03-23 WO disclosed