SCHEMBL29680068

SCHEMBL29680068

CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)OCC(COC(=O)[C@]3(C)CCC[C@@]4(C)[C@H]3CC=C3C=C(C(C)C)CC[C@@H]34)OC(=O)[C@]3(C)CCC[C@@]4(C)[C@H]3CC=C3C=C(C(C)C)CC[C@@H]34)[C@H]2CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.68
▸ ALOX15 P16050 3/20 0.68
▸ PDK1 Q15118 2/20 0.68
▸ PDK2 Q15119 2/20 0.68
▸ PDK3 Q15120 2/20 0.68
▸ PDK4 Q16654 2/20 0.68
▸ LMNA P02545 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ CYP3A4 P08684 2/20 0.68
▸ MAPT P10636 2/20 0.68
▸ SLCO1B3 Q9NPD5 1/20 0.68
▸ SLCO1B1 Q9Y6L6 1/20 0.68
▸ GABRA1 P14867 1/20 0.68
▸ GABRB2 P47870 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ MAPK1 P28482 2/20 0.58
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54

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
SCHEMBL13337962 1.00 HSD17B10 (0.68) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL13366520 0.95 HSD17B10 (0.65) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL123109 0.90 HSD17B10 (0.71) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL2418156 0.88 HSD17B10 (0.74) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL2418158 0.88 HSD17B10 (0.74) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL13337971 0.88 HSD17B10 (0.74) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL15072078 0.88 HSD17B10 (0.67) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL31152669 0.88 HSD17B10 (0.67) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL29363132 0.88 HSD17B10 (0.67) HSD17B10ALOX15PDK1PDK2PDK3
SCHEMBL15072071 0.88 HSD17B10 (0.67) HSD17B10ALOX15PDK1PDK2PDK3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4175484-B1 FLAVOR COMPOSITIONS FOR BEVERAGE AND PERSONAL CARE APPLICATIONS FIRMENICH & CIE (CH) 2024-12-04 — — EP disclosed
US-20230413878-A1 FLAVOR COMPOSITIONS FOR BEVERAGE AND PERSONAL CARE APPLICATIONS FIRMENICH SA (CH) 2023-12-28 — — US disclosed
EP-4175484-A1 FLAVOR COMPOSITIONS FOR BEVERAGE AND PERSONAL CARE APPLICATIONS Firmenich SA (CH) 2023-05-10 — — EP disclosed
CN-115397252-A Flavor compositions for beverage and personal care applications 弗门尼舍有限公司 2022-11-25 — — CN disclosed
CN-108795773-B Musk mould strain and perfume prepared from same 贵州中烟工业有限责任公司 2022-09-20 — — CN disclosed
WO-2022129000-A1 FLAVOR COMPOSITIONS FOR BEVERAGE AND PERSONAL CARE APPLICATIONS FIRMENICH SA (CH) 2022-06-23 — — WO disclosed
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