SCHEMBL10690635

SCHEMBL10690635

CCCCCCCCCCCCc1ccc(OP(=S)([S-])Oc2ccc(CCCCCCCCCCCC)cc2CCCCCCCCCCCC)c(CCCCCCCCCCCC)c1.CCCCCCCCCCCCc1ccc(OP(=S)([S-])Oc2ccc(CCCCCCCCCCCC)cc2CCCCCCCCCCCC)c(CCCCCCCCCCCC)c1.CCCCCCCCCCCCc1ccc(OP(=S)([S-])Oc2ccc(CCCCCCCCCCCC)cc2CCCCCCCCCCCC)c(CCCCCCCCCCCC)c1.CCCCCCCCCCCCc1ccc(OP(=S)([S-])Oc2ccc(CCCCCCCCCCCC)cc2CCCCCCCCCCCC)c(CCCCCCCCCCCC)c1.CCCCCCCCCCCCc1ccc(OP(=S)([S-])Oc2ccc(CCCCCCCCCCCC)cc2CCCCCCCCCCCC)c(CCCCCCCCCCCC)c1.CCCCCCCCCCCCc1ccc(OP(=S)([S-])Oc2ccc(CCCCCCCCCCCC)cc2CCCCCCCCCCCC)c(CCCCCCCCCCCC)c1.[Mo+6]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
APAF1 O14727 2/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAD52 P43351 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7523841 0.82 ENPP2 (0.46) HTTMAPTMAPK1APAF1THRB
SCHEMBL2379852 0.81 THRA (0.55) THRBPPARGPPARA
SCHEMBL6478069 0.81 HTT (0.49) HTTMAPTMAPK1APAF1THRB
SCHEMBL486877 0.80 THRA (0.53) THRBPPARGPPARA
SCHEMBL8661503 0.79 THRA (0.56) MAPTTHRBMEN1KMT2APPARG
SCHEMBL1022843 0.79 PPARA (0.50) HTTMAPTMAPK1APAF1THRB
Zinc Ion SCHEMBL162803 0.78 THRA (0.55) THRBPPARGPPARA
SCHEMBL4019156 0.78 THRA (0.55) THRBPPARGPPARA
SCHEMBL10942399 0.78 HTT (0.43) HTTMAPTMAPK1APAF1THRB
Zinc Ion SCHEMBL8037336 0.78 THRA (0.55) THRBPPARGPPARA

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
EP-0279090-A1 Gasoline compositions containing hexavalent molybdenum AMOCO CORPORATION (US) 1988-08-24 EP disclosed