SCHEMBL8722320

SCHEMBL8722320

CCOP(=O)(COCCCCCOS(C)(=O)=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
CA1 P00915 12/20 0.34
CA2 P00918 12/20 0.34
CA9 Q16790 11/20 0.34
CA12 O43570 3/20 0.34
CA7 P43166 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL8717549 0.88 TSHR (0.40) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL5595029 0.78 TSHR (0.48) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL17022249 0.78 TSHR (0.68) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL13541250 0.76 SMN1; SMN2 (0.55) TSHRSMN1; SMN2HPGDPPARD
SCHEMBL2391423 0.76 TSHR (0.71) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL8717533 0.75 TSHR (0.41) TSHRCA1CA2CA9CA12
SCHEMBL11688723 0.74 PPARD (0.48) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL9304075 0.73 TSHR (0.52) TSHRALDH1A1LMNACA1CA2
SCHEMBL4952202 0.73 TSHR (0.94) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL4954793 0.73 TSHR (0.94) TSHRKDM4EUSP2ALDH1A1LMNA

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