SCHEMBL29934958

SCHEMBL29934958

C=C(CCC(C)C1CCC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.47
▸ TOP2A P11388 6/20 0.45
▸ TOP2B Q02880 6/20 0.45
▸ HMGCR P04035 2/20 0.44
▸ ACHE P22303 2/20 0.44
▸ CRYAB P02511 2/20 0.42
▸ RELA Q04206 4/20 0.42
▸ PRKCZ Q05513 4/20 0.42
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL1196806 0.88 MAPK1 (0.50) MAPK1TOP2ATOP2BHMGCRACHE
SCHEMBL1196805 0.88 MAPK1 (0.50) MAPK1TOP2ATOP2BHMGCRACHE
SCHEMBL13384621 0.85 HMGCR (0.58) MAPK1TOP2ATOP2BHMGCRACHE
SCHEMBL3303672 0.83 TOP2A (0.63) MAPK1TOP2ATOP2BHMGCRACHE
SCHEMBL3303674 0.83 TOP2A (0.63) MAPK1TOP2ATOP2BHMGCRACHE
SCHEMBL28676116 0.83 MAPK1 (0.61) MAPK1TOP2ATOP2BACHECRYAB
SCHEMBL30651915 0.83 MAPK1 (0.61) MAPK1TOP2ATOP2BACHECRYAB
SCHEMBL26642848 0.83 MAPK1 (0.61) MAPK1TOP2ATOP2BACHECRYAB
SCHEMBL19728965 0.83 MAPK1 (0.48) MAPK1TOP2ATOP2BHMGCRACHE
SCHEMBL26642849 0.83 MAPK1 (0.61) MAPK1TOP2ATOP2BACHECRYAB

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-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 — — US disclosed
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