SCHEMBL7597256

SCHEMBL7597256

C=C(C)C(=O)OCCCC(CCCCCCF)CCCCCCCCCCCCCCCCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
THRB P10828 1/20 0.41
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NAAA Q02083 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 2/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
EPHX1 P07099 1/20 0.35
ATM Q13315 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
SCHEMBL6684134 0.90 TSHR (0.80) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8169202 0.90 TSHR (0.80) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29140281 0.88 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29199286 0.88 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL31403399 0.88 TSHR (0.83) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28384552 0.84 TSHR (0.70) TSHRTHRBPOLBAPEX1HTT
SCHEMBL651325 0.84 TSHR (0.75) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27797297 0.84 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28479741 0.83 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3717075 0.82 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT

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
EP-1140242-B1 POLYMER COMPOSITIONS FOR INTRALUMINAL STENT QUANAM MEDICAL CORP (US) 2002-10-30 EP claimed