SCHEMBL8535772

SCHEMBL8535772

O=C(O)C(C(O)=S)c1ccccc1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.42
SRC P12931 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PTGDR Q13258 1/20 0.35
LMNA P02545 1/20 0.33
KMO O15229 1/20 0.33
KIF11 P52732 1/20 0.33
GAA P10253 1/20 0.33
PTGS2 P35354 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RBP4 P02753 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8540016 0.98 PTGDR2 (0.44) PTGDR2SRCNPC1RAB9APTGDR
SCHEMBL418663 0.79 PTGDR2 (0.45) PTGDR2PTGDRLMNAKMOKIF11
SCHEMBL415803 0.79 PTGDR2 (0.45) PTGDR2PTGDRLMNAKMOKIF11
SCHEMBL2062948 0.79 PTGDR2 (0.45) PTGDR2PTGDRLMNAKMOKIF11
SCHEMBL198081 0.78 PTGDR2 (0.48) PTGDR2PTGDRLMNAKMOKIF11
SCHEMBL30913266 0.78 PTGDR2 (0.48) PTGDR2PTGDRLMNAKMOKIF11
SCHEMBL198311 0.78 PTGDR2 (0.48) PTGDR2PTGDRLMNAKMOKIF11
SCHEMBL1825802 0.78 PTGDR2 (0.48) PTGDR2PTGDRLMNAKMOKIF11
SCHEMBL9255593 0.78 PTGDR2 (0.44) PTGDR2PTGDRKMOPTGS2MEN1
SCHEMBL2653447 0.78 PTGDR2 (0.44) PTGDR2RAB9APTGDRLMNAPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed