SCHEMBL18827072

SCHEMBL18827072

COC[C@@]1(C)O[C@@H]2[C@@H]3C[C@@]4(CC2(C)O1)[C@H](C)CC[C@H]4C3(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL18827128 1.00 ALOX15 (0.31) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL18827097 0.77 ALDH1A1 (0.31) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL18827059 0.77 ALDH1A1 (0.31) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL17637288 0.71 ALOX15 (0.38) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL22716568 0.71 ALOX15 (0.38) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL17637290 0.71 ALOX15 (0.38) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL16250482 0.65 — —
SCHEMBL17703943 0.65 — —
SCHEMBL18827101 0.65 — —
SCHEMBL18827129 0.65 ALOX15 (0.35) ALOX15ALDH1A1LMNATHRBMAPK1

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-9644171-B2 Cyclic acetals and ketals and use thereof as fragrance SYMRISE AG (DE) 2017-05-09 — — US disclosed
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