SCHEMBL7083483

SCHEMBL7083483

COCCOCOc1c(OC(=O)OC)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
NCEH1 Q6PIU2 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CXCR2 P25025 1/20 0.39
MMP3 P08254 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL7080245 0.90 CTSD (0.39) ALDH1A1HPGDKDM4EKMT2ANCEH1
SCHEMBL7080458 0.87 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EKMT2ANCEH1
SCHEMBL6043188 0.81 HDAC3 (0.59) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL4256922 0.80 HDAC3 (0.46) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL7081143 0.79 CTSD (0.42) ALDH1A1HPGDKDM4EKMT2ANCEH1
SCHEMBL6938277 0.78 NCEH1 (0.52) ALDH1A1HPGDKDM4ENCEH1SMN1; SMN2
SCHEMBL6041500 0.78 SLC2A1 (0.40) ALDH1A1KDM4EKMT2AMMP3HDAC3
SCHEMBL3069372 0.78 ALDH1A1 (0.52) ALDH1A1KDM4ENCEH1SMN1; SMN2LMNA
SCHEMBL6043181 0.74 SLC2A1 (0.37) MMP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL7081718 0.72 NCEH1 (0.49) HPGDKDM4ENCEH1LMNAMTNR1A

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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed