SCHEMBL21767938

SCHEMBL21767938

CC(C)CC(OC(=O)/C=C\C(=O)O)[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.52
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
LAP3 P28838 2/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
CACNA2D1 P54289 2/20 0.30
TSHR P16473 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 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
SCHEMBL21767937 0.93 HCAR2 (0.39) HCAR2LAP3TSHR
SCHEMBL28383335 0.80 HCAR2 (0.47) HCAR2CA2TSHR
SCHEMBL28386996 0.80 HCAR2 (0.47) HCAR2CA2TSHR
SCHEMBL5838503 0.80 HCAR2 (0.47) HCAR2CA2TSHR
SCHEMBL3482501 0.78 HCAR2 (0.63) HCAR2ALDH1A1GAALAP3CACNA2D1
SCHEMBL3482497 0.78 HCAR2 (0.63) HCAR2ALDH1A1GAALAP3CACNA2D1
SCHEMBL5848513 0.78 HCAR2 (0.63) HCAR2ALDH1A1GAALAP3CACNA2D1
SCHEMBL7778541 0.77 HCAR2 (0.61) HCAR2ALDH1A1GAALAP3CACNA2D1
SCHEMBL21767940 0.77 HCAR2 (0.61) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL7778547 0.77 HCAR2 (0.61) HCAR2ALDH1A1GAALAP3CACNA2D1

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
EP-3617240-B1 VEHICLE RESIN FOR AN ANTIFOULING COATING NIPPON PAINT MARINE COATINGS CO LTD (JP) 2021-12-01 EP disclosed
US-11111406-B2 Copolymer and antifouling coating composition containing the same NIPPON PAINT MARINE COATINGS CO., LTD. (JP) 2021-09-07 US disclosed
US-20210024770-A1 COPOLYMER AND ANTIFOULING COATING COMPOSITION CONTAINING THE SAME NIPPON PAINT MARINE COATINGS CO., LTD. (JP) 2021-01-28 US disclosed
EP-3617240-A1 COPOLYMER AND ANTI-FOULING PAINT COMPOSITION CONTAINING SAME Nippon Paint Marine Coatings Co., Ltd. (JP) 2020-03-04 EP disclosed