SCHEMBL27765790

SCHEMBL27765790

CC(C)=CCC[C@@]1(C)C=Cc2c(CC(=O)Cc3ccc(O)cc3O)ccc(O)c2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ IDE P14735 1/20 0.49
▸ XBP1 P17861 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ BCHE P06276 3/20 0.48
▸ ALOX5 P09917 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ CTSK P43235 1/20 0.46
▸ SLC6A2 P23975 2/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ LDHA P00338 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ TRPM8 Q7Z2W7 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL17549834 0.84 CTSK (0.52) MAPTKMT2APOLBGAAIDE
SCHEMBL31297041 0.84 CTSK (0.52) MAPTKMT2APOLBGAAIDE
SCHEMBL27874620 0.84 CTSK (0.52) MAPTKMT2APOLBGAAIDE
SCHEMBL30880719 0.82 APP (0.55) MAPTKMT2APOLBGAAIDE
SCHEMBL17536186 0.71 BCHE (0.40) MAPTKMT2APOLBGAAIDE
SCHEMBL17536185 0.71 BCHE (0.40) MAPTKMT2APOLBGAAIDE
SCHEMBL29775511 0.71 PTPN1 (0.51) MAPTKMT2APOLBGAAIDE
Hydrochloric Acid SCHEMBL17536188 0.71 BCHE (0.40) MAPTKMT2APOLBGAAIDE
Hydrochloric Acid SCHEMBL17536187 0.71 BCHE (0.40) MAPTKMT2APOLBGAAIDE
Petalopurpurenol SCHEMBL27977935 0.70 PDE4D (0.68) MAPTKMT2APOLBGAABCHE

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
CN-101450110-A Artocarpus heterophyllus extract for treating cerebrovascular disease and preparation method thereof UNIV ZHEJIANG (CN) 2009-06-10 — — CN disclosed
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