SCHEMBL8717740

SCHEMBL8717740

CCOP(=O)(COCCI)OCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
PPARD Q03181 2/20 0.40
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL9304075 0.84 TSHR (0.52) TSHRPPARDTP53TDP1HPGD
SCHEMBL9499680 0.81 TSHR (0.60) TSHRPPARDTP53TDP1MEN1
SCHEMBL28994311 0.80 TSHR (0.48) TSHRPPARDTP53TDP1HPGD
SCHEMBL19352052 0.80 PPARD (0.52) TSHRPPARDTP53TDP1HPGD
SCHEMBL161601 0.79 PPARD (0.47) TSHRPPARDTP53TDP1
SCHEMBL1527539 0.79 PPARD (0.47) TSHRPPARDTP53TDP1
SCHEMBL7940743 0.79 TSHR (0.57) TSHRPPARDTP53TDP1MEN1
SCHEMBL8419424 0.78 TSHR (0.46) TSHRPPARDTP53TDP1HPGD
SCHEMBL8399163 0.78 PPARD (0.56) TSHRPPARDTP53TDP1HPGD
SCHEMBL13541250 0.78 SMN1; SMN2 (0.55) TSHRPPARDHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5854228-A Antiviral phosphonomethoxyalkylene purine and pyrimidine derivatives INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1998-12-29 US disclosed
US-5650510-A VIRICIDES OR ANTITUMOR AGENTS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1997-07-22 US disclosed
EP-0269947-B2 Antiviral phosphonomethoxyalkylene purine and pyrimidine derivatives ACAD OF SCIENCE CZECH REPUBLIC (CS) 1996-10-16 EP disclosed
EP-0269947-A1 Antiviral phosphonomethoxyalkylene purine and pyrimidine derivatives INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1988-06-08 EP disclosed