SCHEMBL12896337

SCHEMBL12896337

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 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

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
SCHEMBL12896580 0.74 ALOX15 (0.39) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL18789479 0.74 ALOX15 (0.39) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL22053555 0.74 ALOX15 (0.39) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL8739817 0.66 ALOX15 (0.46) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL24245829 0.63 ALDH1A1 (0.33) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL13838037 0.63 ALOX15 (0.32) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL18789464 0.61 ALOX15 (0.41) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL18827095 0.60 ALOX15 (0.40) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL22892113 0.60 ALOX15 (0.41) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL19538327 0.60 ALOX15 (0.41) 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
EP-2287158-A1 Ambergris Odorous Substance based on 9-Methanoazuleno(5,6-d)-1,3-dioxoles Symrise AG (DE) 2011-02-23 — — EP disclosed
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