SCHEMBL14303936

SCHEMBL14303936

CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H](O)[C@@H](O)[C@H]1C(C)(C)CCC[C@]21C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.40
▸ SOD1 P00441 1/20 0.32
▸ FDPS P14324 2/20 0.31
▸ GGPS1 O95749 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31

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
SCHEMBL22861882 0.83 EP300 (0.35) EP300FDPSCYP19A1
SCHEMBL14303934 0.83 EP300 (0.35) EP300FDPS
SCHEMBL22862021 0.83 EP300 (0.32) EP300
SCHEMBL22862020 0.83 EP300 (0.32) EP300
SCHEMBL22861886 0.81 EP300 (0.38) EP300FDPSGGPS1CYP19A1
SCHEMBL22861890 0.81 EP300 (0.38) EP300FDPSGGPS1CYP19A1
Horminone SCHEMBL22861891 0.79 CYP19A1 (0.45) EP300FDPSGGPS1CYP19A1
Horminone SCHEMBL22861860 0.79 CYP19A1 (0.45) EP300FDPSGGPS1CYP19A1
SCHEMBL22861898 0.78 EP300 (0.42) EP300SOD1FDPSGGPS1CYP19A1
SCHEMBL22861899 0.78 EP300 (0.42) EP300SOD1FDPSGGPS1CYP19A1

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
WO-2008001278-A2 EXTRACTS OF PLECTRANTHUS HADIENSIS, ARGENATUS OR MYRIANTHUS FOR THE TREATMENT OF MICROBIAL INFECTION UNIVERSITY OF KWAZULU-NATAL (ZA) 2008-01-03 — — WO disclosed
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