SCHEMBL25819988

SCHEMBL25819988

C[C@@H]1CCC2C(C)(C)C[C@@](C)(O)C(=O)C[C@@]21C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PAX8 Q06710 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
SCHEMBL22892114 0.78 ALDH1A1 (0.33) MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL25820029 0.73 ALDH1A1 (0.39) ALDH1A1PAX8
SCHEMBL13618063 0.66 — —
SCHEMBL25912539 0.66 — —
SCHEMBL25819931 0.66 ALDH1A1 (0.38) ALDH1A1
SCHEMBL26022084 0.66 ALDH1A1 (0.38) ALDH1A1
SCHEMBL25819929 0.59 ALOX15 (0.57) ALDH1A1
SCHEMBL22892040 0.59 ALOX15 (0.57) ALDH1A1
SCHEMBL9839543 0.57 PAX8 (0.33) MEN1ALDH1A1CYP3A4KMT2APAX8
SCHEMBL22892115 0.56 ALDH1A1 (0.34) ALDH1A1

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-20230212616-A1 BIOTECHNOLOGICAL PRODUCTION OF DIOLS SYMRISE AG (DE) 2023-07-06 — — US disclosed
Send feedback