SCHEMBL4496927

SCHEMBL4496927

CCCCCCCCCCCCCCCCCCOCC(CO)(OC)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.50
HTT P42858 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 1/20 0.48
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.43
CES2 O00748 2/20 0.42
TSHR P16473 2/20 0.39
LPAR6 P43657 3/20 0.37
LPAR1 Q92633 3/20 0.37
LPAR4 Q99677 3/20 0.37
LPAR5 Q9H1C0 3/20 0.37
LPAR2 Q9HBW0 3/20 0.37
LPAR3 Q9UBY5 3/20 0.37
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL2840059 0.88 CES1 (0.52) CES1HTTMEN1KMT2ATHRB
SCHEMBL24104814 0.78 SPHK2 (0.49) CES1HTTMEN1KMT2ATHRB
SCHEMBL1316405 0.78 CES1 (0.55) CES1HTTMEN1KMT2ATHRB
SCHEMBL6386781 0.78 CES1 (0.55) CES1HTTMEN1KMT2ATHRB
SCHEMBL19463378 0.78 CES1 (0.55) CES1HTTMEN1KMT2ATHRB
SCHEMBL4307712 0.78 CES1 (0.55) CES1HTTMEN1KMT2ATHRB
SCHEMBL19463076 0.78 CES1 (0.55) CES1HTTMEN1KMT2ATHRB
SCHEMBL4109335 0.78 CES1 (0.55) CES1HTTMEN1KMT2ATHRB
SCHEMBL2018151 0.78 CES1 (0.55) CES1HTTMEN1KMT2ATHRB
SCHEMBL1238411 0.78 CES1 (0.55) CES1HTTMEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517858-B1 Prodrugs of pharmaceuticals with improved bioavailability THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-14 US disclosed
EP-0837630-B1 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY HOSTETLER KARL Y (US) 2007-12-26 EP disclosed
EP-0837630-A4 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY UNIV CALIFORNIA (US) 1998-11-25 EP disclosed
EP-0837630-A1 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-29 EP disclosed
EP-0831801-A1 NON-STEROIDAL ANTI-INFLAMMATORY DRUGS FOR THE CYTO-PROTECTION OF THE TRABECULAR MESHWORK THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-01 EP disclosed
WO-1996039831-A1 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-19 WO disclosed
WO-1996040102-A1 NON-STEROIDAL ANTI-INFLAMMATORY DRUGS FOR THE CYTO-PROTECTION OF THE TRABECULAR MESHWORK THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-19 WO disclosed