SCHEMBL3191473

SCHEMBL3191473

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ ACHE P22303 2/20 0.43
▸ HMGCR P04035 1/20 0.42
▸ TOP2A P11388 6/20 0.41
▸ TOP2B Q02880 6/20 0.41
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CRYAB P02511 1/20 0.40
▸ RELA Q04206 3/20 0.40
▸ PRKCZ Q05513 3/20 0.40
▸ PTGES O14684 1/20 0.40
▸ PTPRF P10586 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ ACP1 P24666 1/20 0.39
▸ ACLY P53396 1/20 0.39
▸ ACACA Q13085 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
SCHEMBL3191480 1.00 MAPK1 (0.51) MAPK1ACHEHMGCRTOP2ATOP2B
SCHEMBL26642848 0.82 MAPK1 (0.61) MAPK1ACHETOP2ATOP2BUSP2
SCHEMBL26642849 0.82 MAPK1 (0.61) MAPK1ACHETOP2ATOP2BUSP2
SCHEMBL31097469 0.81 MAPK1 (0.75) MAPK1ACHEHMGCRTOP2AUSP2
SCHEMBL1196805 0.81 MAPK1 (0.50) MAPK1ACHEHMGCRTOP2ATOP2B
SCHEMBL1196806 0.81 MAPK1 (0.50) MAPK1ACHEHMGCRTOP2ATOP2B
SCHEMBL13384621 0.80 HMGCR (0.58) MAPK1ACHEHMGCRTOP2ATOP2B
SCHEMBL19728965 0.78 MAPK1 (0.48) MAPK1ACHEHMGCRTOP2ATOP2B
SCHEMBL31232805 0.77 RELA (0.49) MAPK1ACHEHMGCRTOP2ATOP2B
SCHEMBL3303674 0.77 TOP2A (0.63) MAPK1ACHEHMGCRTOP2ATOP2B

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-20100028469-A1 Extracts of Cranberry and Methods of Using Thereof HERBALSCIENCE GROUP, LLC (US) 2010-02-04 — — US disclosed
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