SCHEMBL5594970

SCHEMBL5594970

CCCCCCCCCCCCCCCCCCOC[C@@H](O)COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
USP2 O75604 1/20 0.54
HTT P42858 1/20 0.53
LPAR5 Q9H1C0 1/20 0.50
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.46
CETP P11597 3/20 0.46
SPHK1 Q9NYA1 1/20 0.45
PLA2G4B P0C869 1/20 0.45

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
SCHEMBL13058722 1.00 CA1 (0.55) CA1CA2CA7CA9USP2
SCHEMBL9662121 1.00 CA1 (0.55) CA1CA2CA7CA9USP2
SCHEMBL9662634 1.00 CA1 (0.55) CA1CA2CA7CA9USP2
SCHEMBL9716318 1.00 CA1 (0.55) CA1CA2CA7CA9USP2
SCHEMBL27683549 1.00 CA1 (0.55) CA1CA2CA7CA9USP2
SCHEMBL9662170 1.00 CA1 (0.55) CA1CA2CA7CA9USP2
SCHEMBL9662126 0.98 CA1 (0.57) CA1CA2CA7CA9USP2
SCHEMBL9662704 0.94 CA1 (0.58) CA1CA2CA7CA9USP2
SCHEMBL2518581 0.92 P2RY10 (0.50) CA1CA2CA7CA9USP2
SCHEMBL10800338 0.90 CA1 (0.51) CA1CA2CA7CA9USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1996039831-A1 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-19 WO disclosed