SCHEMBL9685475

SCHEMBL9685475

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.46
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
UGT2B7 P16662 2/20 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
SCHEMBL8839568 0.92 PPARD (0.46) PPARDALDH1A1LMNAHSD17B10TSHR
SCHEMBL9685456 0.85 PPARD (0.40) PPARDALDH1A1LMNAHSD17B10TSHR
SCHEMBL9683406 0.83 PPARD (0.59) PPARDALDH1A1LMNATSHRMAPT
SCHEMBL7185162 0.76 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10TSHRMAPT
SCHEMBL9793608 0.75 PPARD (0.39) PPARDALDH1A1LMNAHSD17B10TSHR
SCHEMBL9675367 0.74 PPARD (0.37) PPARDALDH1A1LMNAHSD17B10TSHR
SCHEMBL9683342 0.74 PPARD (0.41) PPARDTSHR
SCHEMBL10448229 0.74 PPARD (0.38) PPARDALDH1A1LMNAHSD17B10TSHR
SCHEMBL13459987 0.73 TDP1 (0.45) ALDH1A1LMNAHSD17B10TSHRMAPT
SCHEMBL5358516 0.73 TDP1 (0.45) ALDH1A1LMNAHSD17B10TSHRMAPT

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