SCHEMBL4475871

SCHEMBL4475871

CCCCCCCCCCCCCCCCC(C)C(=S)CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
LMNA P02545 4/20 0.43
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
FFAR1 O14842 1/20 0.40
FDPS P14324 3/20 0.39
SPHK1 Q9NYA1 2/20 0.39
GPR84 Q9NQS5 1/20 0.38
CYP2D6 P10635 2/20 0.37
GMNN O75496 1/20 0.37
POLB P06746 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
BLM P54132 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL8578715 0.79 CA1 (0.47) CA1LMNAALDH1A1HSD17B10MEN1
SCHEMBL17629855 0.79 CA1 (0.47) CA1LMNAALDH1A1HSD17B10MEN1
SCHEMBL13474651 0.79 FFAR4 (0.42) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1176636 0.79 CA1 (0.47) CA1LMNAALDH1A1HSD17B10MEN1
SCHEMBL11329891 0.79 CA1 (0.47) CA1LMNAALDH1A1HSD17B10MEN1
Ethylene Glycol SCHEMBL9698549 0.78 ACE2 (0.46) CA1LMNAALDH1A1HSD17B10MEN1
SCHEMBL7520001 0.75 LMNA (0.41) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5076634 0.74 CA1 (0.50) CA1LMNAFFAR4ACE2FFAR1
SCHEMBL3063652 0.74 CA1 (0.50) CA1LMNAFFAR4ACE2FFAR1
SCHEMBL790607 0.74 CA1 (0.50) CA1LMNAFFAR4ACE2FFAR1

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 5 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
WO-1996039831-A1 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-19 WO disclosed