SCHEMBL26083354

SCHEMBL26083354

COc1c(C(C)C)cc2c(c1OC)[C@@]1(CI)CCCC(C)(C)C1C(=O)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 9/20 0.36
▸ GGPS1 O95749 3/20 0.34
▸ BCL9 O00512 3/20 0.32
▸ CTNNB1 P35222 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PNLIP P16233 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ GSTO1 P78417 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL18290367 0.68 FDPS (0.50) FDPSGGPS1BCL9CTNNB1ALDH1A1
SCHEMBL26083369 0.66 FDPS (0.33) FDPSGGPS1BCL9CTNNB1ALDH1A1
SCHEMBL30726729 0.62 FDPS (0.77) FDPSGGPS1BCL9CTNNB1ALDH1A1
SCHEMBL6658577 0.62 FDPS (0.80) FDPSGGPS1BCL9CTNNB1ALDH1A1
SCHEMBL26083359 0.62 — —
SCHEMBL29497740 0.58 FDPS (0.36) FDPSGGPS1
Iguestol SCHEMBL18290360 0.58 FDPS (0.40) FDPSGGPS1BCL9CTNNB1ALDH1A1
SCHEMBL26083353 0.58 FDPS (0.38) FDPSGGPS1BCL9CTNNB1ALDH1A1
SCHEMBL29405917 0.58 FDPS (0.80) FDPSGGPS1BCL9CTNNB1ALDH1A1
SCHEMBL9923660 0.58 FDPS (0.80) FDPSGGPS1BCL9CTNNB1ALDH1A1

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-2023192921-A2 ABIETANES AND METHODS OF MAKING AND USING THE SAME THE FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-05 — — WO disclosed
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