SCHEMBL22892114

SCHEMBL22892114

CC[C@]12CC(=O)[C@](C)(O)CC(C)(C)C1CC[C@H]2C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL25819988 0.78 MEN1 (0.33) ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL25819971 0.77 ALOX15 (0.39) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL22892113 0.70 ALOX15 (0.41) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL19538327 0.70 ALOX15 (0.41) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL14081521 0.66 ALOX15 (0.43) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL22892040 0.65 ALOX15 (0.57) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL25819929 0.65 ALOX15 (0.57) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL8739817 0.63 ALOX15 (0.46) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL13618063 0.62 — —
SCHEMBL25912539 0.62 — —

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-2021004614-A1 BIOTECHNOLOGICAL PRODUCTION OF DIOLS SYMRISE AG (DE) 2021-01-14 — — WO disclosed
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