SCHEMBL30404058

SCHEMBL30404058

COC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)OC

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.85
▸ MAPT P10636 3/20 0.85
▸ TDP1 Q9NUW8 2/20 0.85
▸ KDM4E B2RXH2 1/20 0.85
▸ ALOX15 P16050 3/20 0.75
▸ RECQL P46063 2/20 0.75
▸ HSD17B10 Q99714 2/20 0.75
▸ TSHR P16473 1/20 0.59
▸ HCAR2 Q8TDS4 2/20 0.56
▸ NFE2L2 Q16236 2/20 0.56
▸ KEAP1 Q14145 1/20 0.56
▸ PTGS1 P23219 2/20 0.52
▸ NR1I2 O75469 2/20 0.37
▸ PGR P06401 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ABCC4 O15439 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 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
SCHEMBL29378795 0.94 ALDH1A1 (0.77) ALDH1A1MAPTTDP1KDM4EALOX15
SCHEMBL25460630 0.94 ALDH1A1 (0.77) ALDH1A1MAPTTDP1KDM4EALOX15
Bixin SCHEMBL29959685 0.92 ALDH1A1 (1.00) ALDH1A1MAPTTDP1KDM4EALOX15
Bixin SCHEMBL42729 0.92 ALDH1A1 (1.00) ALDH1A1MAPTTDP1KDM4EALOX15
Bixin SCHEMBL9939959 0.92 ALDH1A1 (1.00) ALDH1A1MAPTTDP1KDM4EALOX15
Bixin SCHEMBL29939591 0.92 ALDH1A1 (1.00) ALDH1A1MAPTTDP1KDM4EALOX15
SCHEMBL1463087 0.86 ALDH1A1 (1.00) ALDH1A1MAPTTDP1KDM4EALOX15
SCHEMBL8299823 0.86 ALDH1A1 (0.66) ALDH1A1MAPTTDP1KDM4EALOX15
SCHEMBL30873767 0.86 ALDH1A1 (1.00) ALDH1A1MAPTTDP1KDM4EALOX15
Bixin SCHEMBL22344763 0.83 ALDH1A1 (0.82) ALDH1A1MAPTTDP1KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 — — CN claimed
EP-4702036-A1 METHOD OF PRODUCING TERPENES Nicoventures Trading Limited (GB) 2026-03-04 — — EP disclosed
WO-2024224082-A1 METHOD OF PRODUCING TERPENES Nicoventures Trading Limited (GB) 2024-10-31 — — WO disclosed
CN-109666121-B Hybrid dynamic cross-linked polymer and application thereof 厦门逍扬运动科技有限公司 2023-09-22 — — CN disclosed
CN-108341960-B Dynamic polymer containing combined dynamic covalent bonds and application thereof 厦门天策材料科技有限公司 2023-08-25 — — CN disclosed
CN-108342049-B Physical split-phase dynamic polymer and application thereof 厦门天策材料科技有限公司 2023-08-22 — — CN disclosed
CN-109666167-B Hybrid dynamic polymer composition 厦门逍扬运动科技有限公司 2023-07-25 — — CN disclosed
CN-109666160-B Dynamic polymer with hybrid cross-linked network 厦门天策材料科技有限公司 2023-07-14 — — CN disclosed
CN-109206570-B Flexible physical split-phase supermolecular dynamic polymer and application thereof 厦门天策材料科技有限公司 2023-04-25 — — CN disclosed
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