SCHEMBL7436101

SCHEMBL7436101

COc1ccc(C(=O)Cl)cc1C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.48
PTGDR Q13258 5/20 0.47
PTGER2 P43116 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
PDE4B Q07343 3/20 0.43
PDE4D Q08499 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTR2A P28223 1/20 0.41

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
SCHEMBL4395843 0.86 CA12 (0.57) PTGDR2PTGDRKMT2APDE4BPDE4D
SCHEMBL7792659 0.85 CA12 (0.56) PTGDR2PTGDRPTGER2PDE4BPDE4D
SCHEMBL5307555 0.84 MAPT (0.51) PTGDR2PTGDRMEN1KMT2APDE4B
SCHEMBL22516364 0.81 MEN1 (0.49) PTGDR2PTGDRMEN1KMT2ATAS1R3
SCHEMBL21484828 0.80 MEN1 (0.49) MEN1KMT2APDE4D
SCHEMBL10186121 0.80 CA12 (0.61) MEN1KMT2APDE4BPDE4DPDE4A
SCHEMBL22516366 0.79 MEN1 (0.53) PTGDR2PTGDRMEN1KMT2ATAS1R3
SCHEMBL7534043 0.78 CHRNA1 (0.42) PTGDR2PTGDRMEN1KMT2A
SCHEMBL24494598 0.78 ALDH1A1 (0.49) PTGDR2PTGDRMEN1KMT2ATAS1R3
SCHEMBL71331 0.78 PDE4D (0.65) PDE4BPDE4DPDE4APDE4C

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 8 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
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-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