SCHEMBL7650101

SCHEMBL7650101

COC(=O)COP(=O)(CCCNO)OCC(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.34
PPARD Q03181 1/20 0.31
HSD17B10 Q99714 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL7649205 0.83 TSHR (0.41) TSHRCA12CA1CA2CA9
SCHEMBL7649338 0.80 TSHR (0.40) TSHRPPARDHSD17B10MGAMGAA
SCHEMBL6930781 0.77 PPARD (0.54) TSHRPPARDGAACA12CA1
SCHEMBL10011234 0.69 TSHR (0.39) TSHRPPARDHSD17B10MGAMGAA
SCHEMBL9445918 0.69 PPARD (0.44) TSHRPPARDHSD17B10CA12CA1
SCHEMBL11436912 0.68 PPARD (0.55) TSHRPPARDCA12CA1CA2
SCHEMBL10395205 0.68 TSHR (0.60) TSHRPPARDHSD17B10MGAMGAA
SCHEMBL10011806 0.68 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL11519577 0.68 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL10067496 0.68 TPI1 (0.54) TSHRHSD17B10MGAMGAASI

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
WO-2002008235-A1 MEDICAMENT FOR ORAL APPLICATION, CONTAINING AMINOPROPYL PHOSPHONIC ACID ESTERS AS AN ACTIVE INGREDIENT JOMAA PHARMAKA GMBH (DE) 2002-01-31 WO disclosed