SCHEMBL14081071

SCHEMBL14081071

C=CC1(C)C(=O)CC23CC1C(C)(C)C2CCC3C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP17A1 P05093 3/20 0.34
▸ CYP19A1 P11511 3/20 0.34

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
SCHEMBL14081522 0.80 ALOX15 (0.47) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL25819929 0.77 ALOX15 (0.57) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL22892040 0.77 ALOX15 (0.57) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL14081521 0.75 ALOX15 (0.43) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL12387184 0.68 PAX8 (0.35) —
SCHEMBL24245773 0.66 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL3503734 0.66 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL24722700 0.66 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL18138232 0.66 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL8912423 0.66 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-7419943-B2 Methanoazuenofurans and methanoazulenone compounds and uses of these compounds as fragrance materials INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2008-09-02 — — US disclosed
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