SCHEMBL25820020

SCHEMBL25820020

CC[C@@H]1C(C)(C)C2CC[C@@H](C)[C@@]2(C)C[C@H](O)[C@]1(C)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL22053017 0.80 ALDH1A1 (0.41) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL18789463 0.69 ALDH1A1 (0.36) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL24722693 0.69 ALOX15 (0.41) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL25819931 0.67 ALDH1A1 (0.38) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL26022084 0.67 ALDH1A1 (0.38) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL25820125 0.66 ALOX15 (0.41) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL19984445 0.66 ALDH1A1 (0.34) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL24245770 0.64 ALOX15 (0.57) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL22892039 0.64 ALOX15 (0.57) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL24245791 0.64 ALOX15 (0.57) ALDH1A1LMNATHRBALOX15MAPK1

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
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