SCHEMBL10691592

SCHEMBL10691592

S=P([S-])(OCc1ccccc1)OCc1ccccc1.S=P([S-])(OCc1ccccc1)OCc1ccccc1.S=P([S-])(OCc1ccccc1)OCc1ccccc1.S=P([S-])(OCc1ccccc1)OCc1ccccc1.S=P([S-])(OCc1ccccc1)OCc1ccccc1.S=P([S-])(OCc1ccccc1)OCc1ccccc1.[Mo+6]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SRC P12931 1/20 0.39
CETP P11597 3/20 0.39
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL11429985 0.96 TSHR (0.50) TSHRIDO1AGXTCA1CA2
Zinc Ion SCHEMBL132692 0.96 TSHR (0.50) TSHRIDO1AGXTCA1CA2
SCHEMBL11365126 0.84 ALDH1A1 (0.55) TSHRIDO1AGXTCA1CA2
SCHEMBL18279927 0.79 TSHR (0.56) TSHRIDO1AGXTCA1CA2
SCHEMBL3082861 0.77 TSHR (0.59) TSHRIDO1AGXTCA1CA2
SCHEMBL1491990 0.76 TSHR (0.63) TSHRIDO1AGXTCA1CA2
SCHEMBL3068400 0.76 TSHR (0.63) TSHRIDO1AGXTCA1CA2
SCHEMBL3068595 0.76 TSHR (0.52) TSHRIDO1AGXTCA1CA2
SCHEMBL8044384 0.76 TSHR (0.52) TSHRIDO1AGXTCA1CA2
SCHEMBL1491036 0.76 TSHR (0.52) TSHRIDO1AGXTCA1CA2

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 2 patents. 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
US-4647293-A Gasoline compositions containing hexavalent molybdenum Magidson, William H. (US) 1987-03-03 US disclosed