SCHEMBL30250115

SCHEMBL30250115

CO[C@@]1(C)CC[C@@]23CC1C(C)(C)C2CCC3C

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.65
▸ ALDH1A1 P00352 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ THRB P10828 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ CYP17A1 P05093 3/20 0.49
▸ CYP19A1 P11511 3/20 0.49

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
SCHEMBL873204 1.00 ALOX15 (0.65) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL32678404 1.00 ALOX15 (0.65) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL14841540 1.00 ALOX15 (0.65) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL8738678 1.00 ALOX15 (0.65) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL19718040 1.00 ALOX15 (0.65) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL18138230 1.00 ALOX15 (0.65) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL24534431 1.00 ALOX15 (0.65) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL19718041 1.00 ALOX15 (0.65) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL17836881 1.00 ALOX15 (0.65) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL1773862 1.00 ALOX15 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387763-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2024-06-26 — — EP disclosed
WO-2023020883-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2023-02-23 — — WO disclosed
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