SCHEMBL30788461

SCHEMBL30788461

c1ccc(OC2CCCCO2)c(OC2CCCCO2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
DHFR P00374 1/20 0.38
PDE4B Q07343 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A3 Q01959 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PTPN1 P18031 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GAA P10253 1/20 0.33
TNK2 Q07912 1/20 0.33

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
SCHEMBL6342508 1.00 KDM4C (0.41) KDM4CDHFRPDE4BMEN1KMT2A
SCHEMBL7240375 0.91 PDE4B (0.46) PDE4BSLC6A3L3MBTL1PTPN1SMN1; SMN2
SCHEMBL954903 0.88 HPGD (0.38) KDM4CDHFRPDE4BMEN1KMT2A
SCHEMBL8067831 0.88 KDM4C (0.37) KDM4CDHFRPDE4BMEN1KMT2A
SCHEMBL30900819 0.88 KDM4C (0.37) KDM4CDHFRPDE4BMEN1KMT2A
SCHEMBL1423598 0.88 KDM4C (0.37) KDM4CDHFRPDE4BMEN1KMT2A
SCHEMBL1680042 0.88 KDM4C (0.37) KDM4CDHFRPDE4BMEN1KMT2A
SCHEMBL7774635 0.88 SLC6A2 (0.39) KDM4CMEN1KMT2ASLC6A3L3MBTL1
SCHEMBL7241320 0.88 ALDH1A1 (0.44) PDE4BMEN1KMT2ASLC6A3
SCHEMBL5545898 0.88 KDM4C (0.37) KDM4CDHFRPDE4BMEN1KMT2A

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-117510686-A Method for preparing morphology-controllable ultra-high molecular weight polyethylene by in-situ polymerization 合肥中科科乐新材料有限责任公司 2024-02-06 CN disclosed