SCHEMBL31132229

SCHEMBL31132229

CC1(C)CCC[C@@]2(C)C1CC[C@]1(C)C2C[C@H](O)[C@@]2(C)C1CC=C(C=O)[C@@H]2C=O

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 3/20 0.73
▸ TRPM2 O94759 1/20 0.73
▸ TRPA1 O75762 1/20 0.62
▸ CHRNB2 P17787 1/20 0.62
▸ CHRNB4 P30926 1/20 0.62
▸ CHRNA3 P32297 1/20 0.62
▸ CHRNA4 P43681 1/20 0.62
▸ EPAS1 Q99814 5/20 0.60
▸ HIF1A Q16665 3/20 0.60
▸ NR1H4 Q96RI1 9/20 0.58
▸ IDO1 P14902 2/20 0.52
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46

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
Scalaradial SCHEMBL31223887 0.85 PLA2G2A (1.00) PLA2G2ATRPM2TRPA1CHRNB2CHRNB4
Scalaradial SCHEMBL31132279 0.85 PLA2G2A (1.00) PLA2G2ATRPM2TRPA1CHRNB2CHRNB4
Epipolygodial SCHEMBL21322435 0.78 CHRNB2 (1.00) PLA2G2ATRPM2TRPA1CHRNB2CHRNB4
Polygodial SCHEMBL258239 0.78 CHRNB2 (1.00) PLA2G2ATRPM2TRPA1CHRNB2CHRNB4
Polygodial SCHEMBL21633831 0.78 CHRNB2 (1.00) PLA2G2ATRPM2TRPA1CHRNB2CHRNB4
Epipolygodial SCHEMBL29370854 0.78 CHRNB2 (1.00) PLA2G2ATRPM2TRPA1CHRNB2CHRNB4
Epipolygodial SCHEMBL13855685 0.78 CHRNB2 (1.00) PLA2G2ATRPM2TRPA1CHRNB2CHRNB4
SCHEMBL31132118 0.78 CHRNB2 (0.62) PLA2G2ATRPM2TRPA1CHRNB2CHRNB4
Mooloolabene B SCHEMBL31211718 0.72 CHRNB2 (0.71) PLA2G2ATRPM2TRPA1CHRNB2CHRNB4
Mooloolabene A SCHEMBL31132209 0.72 CHRNB2 (0.71) PLA2G2ATRPM2TRPA1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680020-A1 COMPOSITIONS INCLUDING ALDEHYDES WITH IMPROVED RELEASE RATE AND DEGRADATION PROPERTIES FMC Agricultural Solutions A/S (DK) 2026-01-21 — — EP claimed
WO-2024189207-A1 COMPOSITIONS INCLUDING ALDEHYDES WITH IMPROVED RELEASE RATE AND DEGRADATION PROPERTIES FMC Agricultural Solutions A/S (DK) 2024-09-19 — — WO claimed
EP-4719057-A1 MICROENCAPSULATED PHEROMONE FORMULATIONS FMC Agricultural Solutions A/S (DK) 2026-04-08 — — EP disclosed
EP-4719056-A1 MICROENCAPSULATED PHEROMONE FORMULATIONS FMC Agricultural Solutions A/S (DK) 2026-04-08 — — EP disclosed
EP-4680020-A1 COMPOSITIONS INCLUDING ALDEHYDES WITH IMPROVED RELEASE RATE AND DEGRADATION PROPERTIES FMC Agricultural Solutions A/S (DK) 2026-01-21 — — EP disclosed
WO-2025111184-A1 SUBSTITUTED TETRAHYDROQUINOLINE AND TETRAHYDROQUINOXALINE HERBICIDES FMC CORPORATION (US) 2025-05-30 — — WO disclosed
WO-2025096485-A1 LIQUID-FERTILIZER READY AGROCHEMICAL FORMULATIONS FMC CORPORATION (US) 2025-05-08 — — WO disclosed
WO-2025006655-A1 ENCAPSULATED COMPOSITIONS INCLUDING LAMELLAR LIQUID CRYSTALS FMC CORPORATION (US) 2025-01-02 — — WO disclosed
WO-2024254035-A1 MICROENCAPSULATED PHEROMONE FORMULATIONS FMC Agricultural Solutions A/S (DK) 2024-12-12 — — WO disclosed
WO-2024254039-A1 MICROENCAPSULATED PHEROMONE FORMULATIONS FMC Agricultural Solutions A/S (DK) 2024-12-12 — — WO disclosed
WO-2024189207-A1 COMPOSITIONS INCLUDING ALDEHYDES WITH IMPROVED RELEASE RATE AND DEGRADATION PROPERTIES FMC Agricultural Solutions A/S (DK) 2024-09-19 — — WO disclosed
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