SCHEMBL7966264

SCHEMBL7966264

C[C@H](Oc1ccc(-c2cccc(S(C)(=O)=O)c2)cc1)[C@H](O)CCc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 3/20 0.44
NR1H2 P55055 3/20 0.41
VCP P55072 1/20 0.40
ADAMTS4 O75173 2/20 0.40
VNN1 O95497 1/20 0.40
CYP11B1 P15538 2/20 0.40
NAMPT P43490 4/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 1/20 0.38
PSMB5 P28074 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL8009648 0.92 PTAFR (0.44) PTAFRADAMTS4CYP11B1NAMPTHTT
SCHEMBL7980003 0.92 PTAFR (0.44) PTAFRADAMTS4CYP11B1NAMPTHTT
SCHEMBL7978613 0.92 PTAFR (0.44) PTAFRADAMTS4CYP11B1NAMPTHTT
SCHEMBL7979922 0.91 PTAFR (0.43) PTAFRADAMTS4CYP11B1NAMPTHTT
SCHEMBL7976660 0.91 PTAFR (0.43) PTAFRADAMTS4CYP11B1NAMPTHTT
SCHEMBL7976664 0.91 PTAFR (0.43) PTAFRADAMTS4CYP11B1NAMPTHTT
SCHEMBL8016580 0.91 ADAMTS4 (0.45) PTAFRADAMTS4NAMPTHTTSMN1; SMN2
SCHEMBL7983208 0.91 ADAMTS4 (0.45) PTAFRADAMTS4NAMPTHTTSMN1; SMN2
SCHEMBL7966529 0.90 PTAFR (0.44) PTAFRADAMTS4CYP11B1NAMPTHTT
SCHEMBL7966525 0.90 PTAFR (0.44) PTAFRADAMTS4CYP11B1NAMPTHTT

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 6 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
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed