SCHEMBL3303674

SCHEMBL3303674

C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CCC4C(C)(C)C(O)CC[C@]4(C)C3=CC[C@]12C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 6/20 0.63
▸ TOP2B Q02880 6/20 0.63
▸ ACHE P22303 2/20 0.63
▸ PRKAG1 P54619 1/20 0.55
▸ PRKAA2 P54646 1/20 0.55
▸ PRKAB1 Q9Y478 1/20 0.55
▸ HSD11B1 P28845 1/20 0.51
▸ HSD11B2 P80365 1/20 0.51
▸ CRYAB P02511 3/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ CRYAA P02489 1/20 0.46
▸ FNTA P49354 1/20 0.44
▸ FNTB P49356 1/20 0.44
▸ HMGCR P04035 1/20 0.44
▸ RELA Q04206 2/20 0.42
▸ PRKCZ Q05513 2/20 0.42
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL3303672 1.00 TOP2A (0.63) TOP2ATOP2BACHEPRKAG1PRKAA2
SCHEMBL1196806 0.87 MAPK1 (0.50) TOP2ATOP2BACHECRYABMAPK1
SCHEMBL1196805 0.87 MAPK1 (0.50) TOP2ATOP2BACHECRYABMAPK1
SCHEMBL13384621 0.84 HMGCR (0.58) TOP2ATOP2BACHEPRKAG1PRKAA2
SCHEMBL29934958 0.83 MAPK1 (0.47) TOP2ATOP2BACHECRYABMAPK1
SCHEMBL28676116 0.82 MAPK1 (0.61) TOP2ATOP2BACHECRYABMAPK1
SCHEMBL26642849 0.82 MAPK1 (0.61) TOP2ATOP2BACHECRYABMAPK1
SCHEMBL19728965 0.82 MAPK1 (0.48) TOP2ATOP2BACHECRYABMAPK1
SCHEMBL30651915 0.82 MAPK1 (0.61) TOP2ATOP2BACHECRYABMAPK1
SCHEMBL26642848 0.82 MAPK1 (0.61) TOP2ATOP2BACHECRYABMAPK1

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
US-20100098788-A1 Extracts of Curcuma and Methods of Use Thereof HERBALSCIENCE GROUP, LLC 2010-04-22 — — US disclosed
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