SCHEMBL25797981

SCHEMBL25797981

CC(=O)N[C@@H](CSCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 2/20 0.62
▸ POLA1 P09884 1/20 0.61
▸ PLA2G2A P14555 1/20 0.58
▸ OSBP P22059 3/20 0.56
▸ USP2 O75604 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ ABCB1 P08183 1/20 0.56
▸ RORC P51449 1/20 0.56
▸ OSBP2 Q969R2 1/20 0.56
▸ NR1H3 Q13133 3/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ NPC1L1 Q9UHC9 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ GBA1 P04062 2/20 0.49
▸ UGCG Q16739 2/20 0.49
▸ GBA2 Q9HCG7 2/20 0.49

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
SCHEMBL25747241 0.93 CYP46A1 (0.63) CYP46A1POLA1PLA2G2AOSBPUSP2
SCHEMBL10237705 0.93 CYP46A1 (0.63) CYP46A1POLA1PLA2G2AOSBPUSP2
SCHEMBL16087280 0.91 CYP46A1 (0.57) CYP46A1POLA1PLA2G2AOSBPUSP2
SCHEMBL16476474 0.90 CYP46A1 (0.67) CYP46A1POLA1PLA2G2AOSBPUSP2
SCHEMBL19566728 0.90 CYP46A1 (0.67) CYP46A1POLA1PLA2G2AOSBPUSP2
SCHEMBL18622135 0.90 CYP46A1 (0.59) CYP46A1POLA1PLA2G2AOSBPUSP2
SCHEMBL17212337 0.90 CYP46A1 (0.59) CYP46A1POLA1PLA2G2AOSBPUSP2
SCHEMBL24473940 0.90 CYP46A1 (0.68) CYP46A1POLA1PLA2G2AOSBPUSP2
SCHEMBL19578615 0.90 CYP46A1 (0.68) CYP46A1POLA1PLA2G2AOSBPUSP2
SCHEMBL16104245 0.88 CYP46A1 (0.64) CYP46A1POLA1PLA2G2AOSBPUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023123722-A1 ANTI-CORONAVIRUS POLYPEPTIDE, AND DERIVATIVES THEREOF AND APPLICATION THEREOF 中国科学院微生物研究所 2023-07-06 — — WO disclosed
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