SCHEMBL7359501

SCHEMBL7359501

CCC(CC)Oc1cc(C(=O)Cl)ccc1SC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
PLAU P00749 1/20 0.32
AR P10275 2/20 0.32
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL7352396 0.89 TAS1R3 (0.36) TAS1R3TAS1R1THRATHRBAR
SCHEMBL7361210 0.84 PDK1 (0.42) TAS1R3TAS1R1TSHR
SCHEMBL7352391 0.80 TAS1R3 (0.43) TAS1R3TAS1R1ARHPGD
SCHEMBL7391696 0.79 TSHR (0.49) SMN1; SMN2TSHR
SCHEMBL7361019 0.76 PDE4D (0.57)
SCHEMBL7351132 0.76 TSHR (0.44) TAS1R3TAS1R1ARPTGS2KDM4E
SCHEMBL7362670 0.75 CA12 (0.43) TAS1R3TAS1R1KDM4EHPGDSMN1; SMN2
SCHEMBL7358059 0.75 THRA (0.39) THRATHRBKDM4EHPGDSMN1; SMN2
SCHEMBL7359682 0.74 TAS1R3 (0.40) TAS1R3TAS1R1THRATHRBKDM4E
SCHEMBL7352361 0.72 TAS1R3 (0.37) TAS1R3TAS1R1THRATHRBAR

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