SCHEMBL29552971

SCHEMBL29552971

CC1=C(C(=O)O)CC[C@]2(C)C3=C(CC[C@@H]12)C(=O)C(C(C)C)=CC3=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.35
▸ EP300 Q09472 1/20 0.34
▸ PDE4D Q08499 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ EPAS1 Q99814 1/20 0.31
▸ KARS1 Q15046 2/20 0.31
▸ HSD17B10 Q99714 3/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PDK1 Q15118 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ PDK3 Q15120 1/20 0.31
▸ PDK4 Q16654 1/20 0.31
▸ SLCO1B3 Q9NPD5 1/20 0.31
▸ SLCO1B1 Q9Y6L6 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RXRA P19793 1/20 0.31

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
SCHEMBL8855376 1.00 SRD5A2 (0.35) SRD5A2EP300PDE4DHIF1AEPAS1
SCHEMBL8855258 0.81 EP300 (0.32) EP300HIF1AEPAS1
SCHEMBL8855191 0.76 KARS1 (0.53) PDE4DKARS1HSD17B10ALOX15CYP3A4
SCHEMBL12260908 0.74 AR (0.54) HIF1AEPAS1CYP3A4LMNAAR
SCHEMBL30090652 0.71 KARS1 (0.34) EP300HIF1AEPAS1KARS1ALOX15
SCHEMBL8855131 0.71 KARS1 (0.51) EP300KARS1ALOX15CYP3A4LMNA
SCHEMBL9359538 0.71 KARS1 (0.34) EP300HIF1AEPAS1KARS1ALOX15
SCHEMBL15732245 0.71 EP300 (0.46) EP300HIF1AEPAS1ALOX15CYP3A4
SCHEMBL9360372 0.69 POLA1 (0.44) EP300HIF1AEPAS1KARS1CYP3A4
SCHEMBL29553155 0.69 KARS1 (0.58) KARS1ALOX15CYP3A4LMNAPDK1

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
CN-120154592-A Application of tripterygium wilfordii p-quinone natural product in preparation of liver protection drugs 上海医药工业研究院有限公司 2025-06-17 — — CN disclosed
CN-113648337-B Application of tripterine in preparation of medicine for inhibiting replication of Marek's disease virus 吉林大学 2022-04-29 — — CN disclosed
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