SCHEMBL9345955

SCHEMBL9345955

CC(C)(C)C(C(=O)C(O)(C(=O)O)C(O)C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.36
ACLY P53396 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL721349 0.77 CPT2 (0.48) CPT2ACLYALDH1A1TSHR
SCHEMBL15208227 0.74 CPT2 (0.39) CPT2ACLYALDH1A1TSHR
SCHEMBL30050299 0.73 CPT2 (0.41) CPT2ACLYALDH1A1TSHR
SCHEMBL1161008 0.73 CPT2 (0.41) CPT2ACLYALDH1A1TSHR
Water SCHEMBL28115838 0.71 CPT2 (0.40) CPT2ACLYALDH1A1TSHR
SCHEMBL28281428 0.71 SLC1A3 (0.37) CPT2ACLY
SCHEMBL31119117 0.70 CPT2 (0.39) CPT2ACLYALDH1A1TSHR
SCHEMBL2035324 0.69
SCHEMBL194255 0.69
SCHEMBL640168 0.69

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-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
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