SCHEMBL29198693

SCHEMBL29198693

CCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(C(=O)O)C(=O)O)C1CC(C)(C)N(C)C(C)C1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
BLM P54132 2/20 0.33
ATM Q13315 2/20 0.33
HIF1A Q16665 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
USP2 O75604 1/20 0.33
CYP2D6 P10635 1/20 0.33
GAA P10253 4/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 4/20 0.32
LMNA P02545 2/20 0.32
GABBR2 O75899 2/20 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
SCHEMBL3450609 0.82 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL22653499 0.80 MEN1 (0.32) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL28484382 0.80 GAA (0.32) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL29001332 0.76 GAA (0.36) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL19512061 0.72 GAA (0.33) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL29198691 0.72 GAA (0.32) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL28859030 0.70 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL7212084 0.69 GAA (0.37) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL313286 0.67 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL10724417 0.67 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1MAPTTSHR

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-114790328-B Alicyclic polycarbonate composition 华东理工大学 2024-03-22 CN disclosed