SCHEMBL7966313

SCHEMBL7966313

Cc1cc(C(=O)O)ccc1-c1ccc(OC(C)C(O)CCc2cccnc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 11/20 0.45
SLC2A1 P11166 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
RARB P10826 1/20 0.42
GCK P35557 1/20 0.41
ADH5 P11766 1/20 0.41
MAPK14 Q16539 1/20 0.41
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL7966315 1.00 PTAFR (0.45) PTAFRSLC2A1POLBHPGDRARB
SCHEMBL7966718 0.85 PDK1 (0.50) PTAFRSLC2A1POLBHPGD
SCHEMBL7978375 0.85 PDK1 (0.50) PTAFRSLC2A1POLBHPGD
SCHEMBL7978652 0.83 CYP11B2 (0.43) PTAFRSLC2A1
SCHEMBL7978653 0.83 CYP11B2 (0.43) PTAFRSLC2A1
SCHEMBL7966595 0.83 PTAFR (0.48) PTAFRPOLBHPGD
SCHEMBL7966593 0.83 PTAFR (0.48) PTAFRPOLBHPGD
SCHEMBL7979957 0.81 CYP11B1 (0.44) PTAFR
SCHEMBL7979919 0.81 CYP11B1 (0.44) PTAFR
SCHEMBL7980129 0.81 PTAFR (0.42) PTAFRPOLBHPGDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US claimed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP claimed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO claimed
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed