SCHEMBL25990908

SCHEMBL25990908

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCNC(=N)N)CC[C@]4(C)C3CC[C@]12C

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.67
▸ CYP46A1 Q9Y6A2 2/20 0.65
▸ OSBP P22059 3/20 0.61
▸ USP2 O75604 2/20 0.61
▸ RORC P51449 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ ABCB1 P08183 1/20 0.61
▸ OSBP2 Q969R2 1/20 0.61
▸ NR1H3 Q13133 4/20 0.55
▸ NPC1L1 Q9UHC9 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ GBA1 P04062 2/20 0.53
▸ UGCG Q16739 2/20 0.53
▸ GBA2 Q9HCG7 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ PLA2G2A P14555 1/20 0.53
▸ GRIN1 Q05586 1/20 0.53
▸ GRIN2A Q12879 1/20 0.53
▸ EPHA2 P29317 1/20 0.51

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
SCHEMBL24438504 1.00 POLA1 (0.67) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL26248169 1.00 POLA1 (0.67) POLA1CYP46A1OSBPUSP2RORC
Hydrochloric Acid SCHEMBL30352746 0.99 POLA1 (0.66) POLA1CYP46A1OSBPUSP2RORC
Hydrochloric Acid SCHEMBL29388923 0.99 POLA1 (0.66) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL24438279 0.98 POLA1 (0.66) POLA1CYP46A1OSBPUSP2RORC
Hydrochloric Acid SCHEMBL29388577 0.97 POLA1 (0.65) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL7132603 0.95 POLA1 (0.73) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL7132607 0.95 POLA1 (0.73) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL13833069 0.94 POLA1 (0.62) POLA1CYP46A1OSBPUSP2RORC
SCHEMBL12515787 0.94 POLA1 (0.62) POLA1CYP46A1OSBPUSP2RORC

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
WO-2023154818-A1 MUCOSAL ADMINISTRATION METHODS AND FORMULATIONS MODERNATX, INC. (US) 2023-08-17 — — WO disclosed
WO-2023086465-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM MODERNATX, INC. (US) 2023-05-19 — — WO disclosed
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