SCHEMBL9346597

SCHEMBL9346597

CCCC(=O)OC(C(=O)O)C(OC(=O)CCC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
LMNA P02545 5/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
FFAR3 O14843 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
MAPK1 P28482 3/20 0.39
MAPT P10636 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 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
SCHEMBL14423839 0.89 ALDH1A1 (0.44) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL29098552 0.87 ALDH1A1 (0.43) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL28233117 0.86 LMNA (0.53) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL27572690 0.85 LMNA (0.62) ALDH1A1LMNAMAPK1MAPTCYP1A2
SCHEMBL5973498 0.83 LMNA (0.66) ALDH1A1LMNAMAPK1MAPTCYP1A2
SCHEMBL9781701 0.83 LMNA (0.66) ALDH1A1LMNAMAPK1MAPTCYP1A2
SCHEMBL2423254 0.83 LMNA (0.66) ALDH1A1LMNAMAPK1MAPTCYP1A2
SCHEMBL19846185 0.83 LMNA (0.66) ALDH1A1LMNAMAPK1MAPTCYP1A2
SCHEMBL19837280 0.83 LMNA (0.66) ALDH1A1LMNAMAPK1MAPTCYP1A2
SCHEMBL19837282 0.83 LMNA (0.66) ALDH1A1LMNAMAPK1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539460-B1 SALTS DERIVED FROM DIALKYLAMINOALKYLSULPHONYL-26 PRISTINAMYCIN II B RHONE POULENC RORER SA (FR) 1994-10-05 EP claimed
US-5326782-A Salts derived from 26-(dialkylaminoalkylsulphonyl)pristinamycin IIB RHONE-POULENC RORER S.A. (FR) 1994-07-05 US claimed
EP-0539460-A1 SALTS DERIVED FROM DIALKYLAMINOALKYLSULPHONYL-26 PRISTINAMYCIN II B. RHONE POULENC RORER SA (FR) 1993-05-05 EP claimed
WO-1992001694-A1 NEW SALTS DERIVED FROM DIALKYLAMINOALKYLSULPHONYL-26 PRISTINAMYCIN II¿B? RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO claimed
US-7262221-B2 Amphiphilic star-like macromolecules for drug delivery RUTGERS THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-08-28 US disclosed
EP-0539460-B1 SALTS DERIVED FROM DIALKYLAMINOALKYLSULPHONYL-26 PRISTINAMYCIN II B RHONE POULENC RORER SA (FR) 1994-10-05 EP disclosed
US-5326782-A Salts derived from 26-(dialkylaminoalkylsulphonyl)pristinamycin IIB RHONE-POULENC RORER S.A. (FR) 1994-07-05 US disclosed
EP-0539460-A1 SALTS DERIVED FROM DIALKYLAMINOALKYLSULPHONYL-26 PRISTINAMYCIN II B. RHONE POULENC RORER SA (FR) 1993-05-05 EP disclosed
WO-1992001694-A1 NEW SALTS DERIVED FROM DIALKYLAMINOALKYLSULPHONYL-26 PRISTINAMYCIN II¿B? RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed
WO-1992001694-A1 NEW SALTS DERIVED FROM DIALKYLAMINOALKYLSULPHONYL-26 PRISTINAMYCIN II¿B? RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed