SCHEMBL15095716

SCHEMBL15095716

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.57
▸ CYP17A1 P05093 3/20 0.34
▸ CYP19A1 P11511 3/20 0.34
▸ ACHE P22303 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 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
SCHEMBL15095711 0.79 ALOX15 (0.36) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL15095691 0.77 ALOX15 (0.38) ALOX15CYP17A1CYP19A1ALDH1A1LMNA
Cedryl Acetate SCHEMBL8737981 0.73 ALOX15 (1.00) ALOX15CYP17A1CYP19A1ALDH1A1LMNA
Cedryl Acetate SCHEMBL18138231 0.73 ALOX15 (1.00) ALOX15CYP17A1CYP19A1ALDH1A1LMNA
Cedryl Acetate SCHEMBL17627733 0.73 ALOX15 (1.00) ALOX15CYP17A1CYP19A1ALDH1A1LMNA
Cedryl Acetate SCHEMBL18604009 0.73 ALOX15 (1.00) ALOX15CYP17A1CYP19A1ALDH1A1LMNA
Cedryl Acetate SCHEMBL8515562 0.73 ALOX15 (1.00) ALOX15CYP17A1CYP19A1ALDH1A1LMNA
Cedryl Acetate SCHEMBL30392817 0.73 ALOX15 (1.00) ALOX15CYP17A1CYP19A1ALDH1A1LMNA
Cedryl Acetate SCHEMBL1532502 0.73 ALOX15 (1.00) ALOX15CYP17A1CYP19A1ALDH1A1LMNA
Cedryl Acetate SCHEMBL17409526 0.73 ALOX15 (1.00) ALOX15CYP17A1CYP19A1ALDH1A1LMNA

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-8481592-B2 Uses of sesquiterpene derivatives KWANG DONG PHARM CO., LTD. (KR) 2013-07-09 — — US disclosed
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