SCHEMBL31476843

SCHEMBL31476843

CCOC(=O)Cc1cccc(OCCCCC2CNCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ BRS3 P32247 1/20 0.36
▸ NR1H2 P55055 2/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ GPR119 Q8TDV5 4/20 0.36
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GHSR Q92847 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL31476883 0.97 PARP1 (0.38) L3MBTL1MAPK1PARP1BRS3NR1H2
SCHEMBL31476896 0.95 PARP1 (0.39) L3MBTL1MAPK1PARP1BRS3NR1H2
SCHEMBL31218714 0.78 KDM4E (0.45) PARP1GPR119
SCHEMBL4844424 0.77 PARP1 (0.46) PARP1NR1H2NR1H3GPR119
SCHEMBL4844436 0.77 PARP1 (0.46) PARP1NR1H2NR1H3GPR119
SCHEMBL30696788 0.76 EPHX2 (0.55) EPHX2
SCHEMBL30696664 0.75 HRH2 (0.55) EPHX2
SCHEMBL27904548 0.75 PARP1 (0.46) PARP1NR1H2NR1H3
SCHEMBL873250 0.75 PARP1 (0.46) PARP1NR1H2NR1H3
SCHEMBL8116046 0.75 CHEK2 (0.44) PARP1NR1H2PPARAGPR119

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
CN-119730847-A NRF2 protein degradation agent 盖尼米德肿瘤学股份有限公司 2025-03-28 — — CN disclosed
Send feedback