Pristimerin

Pristimerin

SCHEMBL30271494

COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)C2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 10/20 1.00
▸ PTPN1 P18031 1/20 1.00
▸ CASP1 P29466 1/20 1.00
▸ ABHD6 Q9BV23 1/20 1.00
▸ KDM4E B2RXH2 1/20 1.00
▸ TP53 P04637 1/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ MAPT P10636 1/20 1.00
▸ HPGD P15428 1/20 1.00
▸ ALOX15 P16050 1/20 1.00
▸ ALOX12 P18054 1/20 1.00
▸ MAPK1 P28482 1/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ TDP1 Q9NUW8 1/20 1.00
▸ TERT O14746 5/20 0.84
▸ HSP90AA1 P07900 1/20 0.83
▸ CCR6 P51684 1/20 0.83
▸ PAX8 Q06710 1/20 0.83
▸ TLR9 Q9NR96 1/20 0.83
▸ HSP90AB1 P08238 4/20 0.81

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
Pristimerin SCHEMBL17328930 1.00 NR4A1 (1.00) NR4A1PTPN1CASP1ABHD6KDM4E
Pristimerin SCHEMBL15020 1.00 NR4A1 (1.00) NR4A1PTPN1CASP1ABHD6KDM4E
Pristimerin SCHEMBL31238187 1.00 NR4A1 (1.00) NR4A1PTPN1CASP1ABHD6KDM4E
SCHEMBL18782114 0.91 NR4A1 (0.84) NR4A1PTPN1CASP1ABHD6KDM4E
SCHEMBL12395123 0.91 NR4A1 (1.00) NR4A1PTPN1CASP1ABHD6KDM4E
SCHEMBL12395120 0.91 NR4A1 (0.83) NR4A1PTPN1CASP1ABHD6KDM4E
Celastrol SCHEMBL14954 0.91 HSP90AA1 (1.00) NR4A1PTPN1CASP1ABHD6KDM4E
Celastrol SCHEMBL17430781 0.91 HSP90AA1 (1.00) NR4A1PTPN1CASP1ABHD6KDM4E
Celastrol SCHEMBL17130559 0.91 HSP90AA1 (1.00) NR4A1PTPN1CASP1ABHD6KDM4E
Celastrol SCHEMBL15813281 0.91 HSP90AA1 (1.00) NR4A1PTPN1CASP1ABHD6KDM4E

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
US-12064407-B2 Endogenous retrovirus-k (ERVK) encodes an alternate envelope protein UNIVERSITY OF WINNIPEG (CA) 2024-08-20 — — US disclosed
US-20230064896-A1 ENDOGENOUS RETROVIRUS-K (ERVK) ENCODES AN ALTERNATE ENVELOPE PROTEIN UNIVERSITY OF WINNIPEG (CA) 2023-03-02 — — US disclosed
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