SCHEMBL31190876

SCHEMBL31190876

CCOC(=O)C1=C(C)OCCC1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 5/20 0.40
ADORA3 P0DMS8 1/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL31296900 0.69 LMNA (0.50) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4914132 0.67 LMNA (0.44) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL5881177 0.67 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL17055573 0.66
SCHEMBL5429764 0.66 LMNA (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL2328254 0.66 LMNA (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4914625 0.66
SCHEMBL3997589 0.66 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9225568 0.66 HDAC4 (0.38) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8440916 0.66 MAPK1 (0.47) KDM4EALDH1A1HPGDHSD17B10GAA

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-118688344-A Gas phase detection method for twelve impurities in pentoxifylline starting material (5, 6-dihydro-3-ethoxycarbonyl-2-methyl-4H-pyran) 常州制药厂有限公司 2024-09-24 CN claimed
CN-118688344-A Gas phase detection method for twelve impurities in pentoxifylline starting material (5, 6-dihydro-3-ethoxycarbonyl-2-methyl-4H-pyran) 常州制药厂有限公司 2024-09-24 CN disclosed