SCHEMBL8553322

SCHEMBL8553322

CCCCCCOOC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
CA1 P00915 8/20 0.40
CA2 P00918 8/20 0.40
CA9 Q16790 7/20 0.40
LPAR3 Q9UBY5 3/20 0.40
CA12 O43570 3/20 0.40
CA7 P43166 3/20 0.40
CA14 Q9ULX7 3/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR2 Q9HBW0 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
NAAA Q02083 1/20 0.40
EPHX1 P07099 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39

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
SCHEMBL15391519 1.00 TSHR (0.42) TSHRCA1CA2CA9LPAR3
SCHEMBL28551726 1.00 TSHR (0.42) TSHRCA1CA2CA9LPAR3
SCHEMBL15353364 1.00 TSHR (0.42) TSHRCA1CA2CA9LPAR3
SCHEMBL28242792 1.00 TSHR (0.42) TSHRCA1CA2CA9LPAR3
SCHEMBL8509109 0.98
SCHEMBL3994471 0.90
SCHEMBL29793658 0.86 TSHR (0.39) TSHRCA1CA2CA9LPAR3
SCHEMBL31424937 0.86 TSHR (0.39) TSHRCA1CA2CA9LPAR3
SCHEMBL29650983 0.86 TSHR (0.39) TSHRCA1CA2CA9LPAR3
SCHEMBL30439113 0.86 TSHR (0.39) TSHRCA1CA2CA9LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1155624-C Cyclic ketone peroxides as polymerization initiators ��˹��ŵ�� 2004-06-30 CN claimed
CN-1181088-A Cyclic ketone peroxides as polymerization initiators AKZO NOBEL NV (NL) 1998-05-06 CN claimed
EP-0863141-A1 SUBSTITUTED HETEROAROMATIC DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-09-09 EP disclosed