SCHEMBL18827057

SCHEMBL18827057

CC[C@]12CCC(C)(OCO)C(C)(C)[C@@H]1CC[C@H]2C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP17A1 P05093 1/20 0.30
▸ CYP19A1 P11511 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
SCHEMBL24066735 0.81 ALOX15 (0.37) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL10086308 0.79 ALOX15 (0.35) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL17340719 0.79 ALOX15 (0.51) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL8739817 0.77 ALOX15 (0.46) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL18827095 0.75 ALOX15 (0.40) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL26022514 0.66 ALOX15 (0.41) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL19984303 0.64 ALOX15 (0.31) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL18789479 0.64 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL22053555 0.64 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL12896580 0.64 ALOX15 (0.39) 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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