SCHEMBL9683406

SCHEMBL9683406

CCOP(=O)(CCC(CO)CO)OCC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.59
TSHR P16473 2/20 0.44
UGT2B7 P16662 2/20 0.35
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9685475 0.83 PPARD (0.46) PPARDTSHRUGT2B7TDP1CA12
SCHEMBL3487454 0.82 PPARD (0.57) PPARDTSHRUGT2B7TP53TDP1
SCHEMBL13824600 0.80 PPARD (0.55) PPARDTSHRUGT2B7TDP1MAPT
SCHEMBL13824850 0.80 PPARD (0.55) PPARDTSHRUGT2B7TDP1MAPT
SCHEMBL10439377 0.79 TSHR (0.56) PPARDTSHRTP53TDP1CA12
SCHEMBL15011848 0.78 PPARD (0.52) PPARDTSHRUGT2B7TP53TDP1
SCHEMBL18979175 0.78 PPARD (0.52) PPARDTSHRUGT2B7TP53TDP1
SCHEMBL9683342 0.78 PPARD (0.41) PPARDTSHR
SCHEMBL9683348 0.76 PPARD (0.39) PPARD
SCHEMBL8839568 0.76 PPARD (0.46) PPARDTSHRUGT2B7TDP1CA12

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
US-5166198-A Herpes virus infections BEECHAM P.L.C. (GB) 1992-11-24 US disclosed
EP-0404296-A1 Phosphono derivatives of purine with antiviral activity Beecham Group p.l.c. (GB) 1990-12-27 EP disclosed