SCHEMBL7356252

SCHEMBL7356252

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
KMT2A Q03164 6/20 0.55
TSHR P16473 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA12 O43570 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
TPMT P51580 1/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL16533376 0.93 MAPT (0.66) MAPTKMT2ATSHRCYP2C9CYP1A2
Veratric Acid Methyl Ester SCHEMBL2050732 0.86 MAPT (0.86) MAPTKMT2ATSHRCYP2C9CYP1A2
Veratric Acid Methyl Ester SCHEMBL29573244 0.86 MAPT (0.86) MAPTKMT2ATSHRCYP2C9CYP1A2
SCHEMBL7356070 0.85 TSHR (0.55) MAPTKMT2ATSHRCYP2C9CYP1A2
SCHEMBL7361174 0.85 CA12 (0.73) TSHRCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL5722940 0.84 MAPT (0.59) MAPTKMT2ATSHRCYP2C9CYP1A2
SCHEMBL31615997 0.82 USP2 (0.61) MAPTKMT2AALDH1A1KDM4ECA1
SCHEMBL23518945 0.81 NOTUM (0.74) MAPTKMT2ATSHRCYP2C9CYP1A2
SCHEMBL16533231 0.81 MAPT (0.62) MAPTKMT2ATSHRCYP2C9CYP1A2
SCHEMBL18031520 0.80 MAPT (0.60) MAPTKMT2ATSHRCYP2C9CYP1A2

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