SCHEMBL19924625

SCHEMBL19924625

COC(=O)C1(C)CCCC2(C)C3=C(CCC12)CC(C(C)C)CC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ SOD1 P00441 1/20 0.47
▸ POLA1 P09884 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ABHD16A O95870 2/20 0.41
▸ NR1H2 P55055 3/20 0.39
▸ NR1H3 Q13133 3/20 0.39
▸ GGPS1 O95749 1/20 0.36
▸ FDPS P14324 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36

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
SCHEMBL12547207 0.87 KARS1 (0.47) CYP3A4MAPTPOLA1ALOX15NR1H2
SCHEMBL9471891 0.87 KARS1 (0.47) CYP3A4MAPTPOLA1ALOX15NR1H2
SCHEMBL2603440 0.87 KARS1 (0.47) CYP3A4MAPTPOLA1ALOX15NR1H2
SCHEMBL23188046 0.86 CYP3A4 (0.37) CYP3A4MAPTMEN1USP2TP53
SCHEMBL16902970 0.84 NR1H2 (0.37) CYP3A4MAPTMEN1USP2TP53
SCHEMBL17429269 0.82 NR1H2 (0.36) CYP3A4MAPTMEN1USP2TP53
SCHEMBL17429272 0.81 NR1H2 (0.37) CYP3A4MAPTMEN1USP2TP53
SCHEMBL17429276 0.81 NR1H2 (0.37) CYP3A4MAPTMEN1USP2TP53
SCHEMBL17429271 0.81 NR1H2 (0.36) CYP3A4MAPTMEN1USP2TP53
SCHEMBL17429273 0.81 NR1H2 (0.36) CYP3A4MAPTMEN1USP2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11603506-B2 Product comprising a plastic container and a substance composition SYMRISE AG (DE) 2023-03-14 — — US claimed
EP-3507352-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION Symrise AG (DE) 2019-07-10 — — EP claimed
WO-2018041354-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION SYMRISE AG (DE) 2018-03-08 — — WO claimed
US-12429483-B2 System and method for determining onset and disease progression RESPIRATION SCAN LTD (IL) 2025-09-30 — — US disclosed
EP-4164481-B1 A DEVICE FOR MEASURING VOLATILE MARKERS IN BREATH NANOSE MEDICAL LTD (IL) 2024-10-16 — — EP disclosed
US-20230337934-A1 A DEVICE FOR MEASURING VOLATILE MARKERS IN BREATH NANOSE MEDICAL LTD (IL) 2023-10-26 — — US disclosed
EP-4164481-A1 A DEVICE FOR MEASURING VOLATILE MARKERS IN BREATH Nanose Medical Ltd (IL) 2023-04-19 — — EP disclosed
US-11603506-B2 Product comprising a plastic container and a substance composition SYMRISE AG (DE) 2023-03-14 — — US disclosed
US-20220317122-A1 SYSTEM AND METHOD FOR DETERMINING ONSET AND DISEASE PROGRESSION RESPIRATION SCAN LTD. (IL) 2022-10-06 — — US disclosed
EP-4013302-A1 SYSTEM AND METHOD FOR DETERMINING ONSET AND DISEASE PROGRESSION Respiration Scan Ltd (IL) 2022-06-22 — — EP disclosed
WO-2021250674-A1 A DEVICE FOR MEASURING VOLATILE MARKERS IN BREATH NANOSE MEDICAL LTD (IL) 2021-12-16 — — WO disclosed
WO-2021028928-A1 SYSTEM AND METHOD FOR DETERMINING ONSET AND DISEASE PROGRESSION RESPIRATION SCAN LTD (IL) 2021-02-18 — — WO disclosed
US-20190225396-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION SYMRISE AG (DE) 2019-07-25 — — US disclosed
EP-3507352-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION Symrise AG (DE) 2019-07-10 — — EP disclosed
CN-109642184-A Product including plastic containers and composition of matter 西姆莱斯有限公司 2019-04-16 — — CN disclosed
WO-2018041354-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION SYMRISE AG (DE) 2018-03-08 — — WO disclosed
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