SCHEMBL31476875

SCHEMBL31476875

O=Cc1c(NCCOCCOc2cc(CC(=O)O)ccc2F)cccc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
PTK2B Q14289 1/20 0.38
KDM4E B2RXH2 3/20 0.37
PTPN11 Q06124 2/20 0.35
TTR P02766 1/20 0.34
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
PTGDR2 Q9Y5Y4 5/20 0.32
RARG P13631 1/20 0.32

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
SCHEMBL31476929 0.86 ALDH1A1 (0.39) WDR5ALDH1A1KMT2APTK2BKDM4E
SCHEMBL27354578 0.81 PPARA (0.36) ALDH1A1KMT2APTK2BKDM4EPTPN11
SCHEMBL27354577 0.76 PPARA (0.37) ALDH1A1KMT2APTK2BKDM4EPTPN11
SCHEMBL31476885 0.75 CD274 (0.39)
SCHEMBL21207889 0.64 KDM4E (0.39) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL27355404 0.64 CXCL12 (0.38) ALDH1A1KDM4E
SCHEMBL10699791 0.63 ALDH1A1 (0.56) ALDH1A1KMT2APTK2BKDM4ETTR
SCHEMBL956632 0.62 SLC22A12 (0.78) ALDH1A1SLC22A12
SCHEMBL27355402 0.61 EGFR (0.44) KDM4E
SCHEMBL1096998 0.61 GAA (0.68) ALDH1A1PTGDR2

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