SCHEMBL7356100

SCHEMBL7356100

COC(=O)c1ccc(SC)c(OC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 5/20 0.46
LMNA P02545 3/20 0.46
HSD17B10 Q99714 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX15 P16050 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 2/20 0.45
RAB9A P51151 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44

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
SCHEMBL7362668 0.85 TAS1R3 (0.46) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL7362912 0.84 KMT2A (0.50) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL7361210 0.83 PDK1 (0.42) MAPTALDH1A1KMT2AMAPK1TAS1R3
SCHEMBL7362670 0.83 CA12 (0.43) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL978911 0.81 NOTUM (0.53) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL24425908 0.81 MAPT (0.50) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL6568018 0.80 MAPT (0.66) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL2827824 0.80 NOTUM (0.56) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL28663604 0.80 MAPT (0.66) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3544032 0.78 MAPT (0.54) MAPTALDH1A1KDM4EHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255326-B1 ANTIINFLAMMATORY AGENT; AUTOIMMUNE DISEASES AVENTIS PHARMA LIMITED (GB) 2001-07-03 US disclosed
US-6096768-A ADMINISTERING A 3, 5, 6-SUBSTITUTED PHENYL COMPOUND FOR THE TREATMENT OF INFLAMMATION AND AUTOIMMUNE DISORDERS RHONE-POULENC RORER LIMITED (GB) 2000-08-01 US disclosed
US-5935978-A Compounds containing phenyl linked to aryl or heteroaryl by an aliphatic- or heteroatom-containing linking group RHONE-POULENC RORER LIMITED (GB) 1999-08-10 US disclosed
US-5840724-A COMPOUNDS FOR TUMOR NECROSIS FACTOR OR ENZYME INHIBITORS OF PHOSPHODIESTERASES RHONE-POULENC RORER LIMITED (GB) 1998-11-24 US disclosed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
US-5698711-A INHIBITORS OF TUMOR NECROSIS FACTOR, CYCLIC ADENOSINE-3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE AND EOSINOPHILS RHONE-POULENC RORER LIMITED (GB) 1997-12-16 US disclosed
US-5679696-A FOR INHIBITING TUMOR NECROSIS FACTOR; ENZYME INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1997-10-21 US disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed
EP-0652868-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1995-05-17 EP disclosed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 WO disclosed