SCHEMBL8409498

SCHEMBL8409498

COC(=O)c1ccc(COc2c(CCc3ccccc3)cccc2S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
CKS1B P61024 1/20 0.46
SKP2 Q13309 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8406667 0.89 PTGER4 (0.40) LMNAHPGDMEN1KMT2APTGER1
SCHEMBL8406421 0.84 HPGD (0.61) LMNAHPGDALDH1A1TP53CYP1A2
SCHEMBL8406034 0.84 PTGER4 (0.59) LMNAHPGDALDH1A1TP53CYP1A2
SCHEMBL8406700 0.83 HPGD (0.53) LMNAHPGDALDH1A1TP53CYP1A2
SCHEMBL8409500 0.83 MAPT (0.45) LMNAHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL8406386 0.82 LMNA (0.52) LMNAHPGDALDH1A1TP53CYP1A2
SCHEMBL8409358 0.81 HPGD (0.51) LMNAHPGDALDH1A1TP53CYP1A2
SCHEMBL8408314 0.80 HPGD (0.50) LMNAHPGDALDH1A1TP53CYP1A2
SCHEMBL8411460 0.80 KMT2A (0.49) LMNAHPGDALDH1A1TP53CYP1A2
SCHEMBL8409876 0.80 HPGD (0.49) LMNAHPGDALDH1A1TP53CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed