SCHEMBL7983193

SCHEMBL7983193

CC(C)[C@H](Oc1ccc(-c2ccccc2)cc1)[C@H](O)CCc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.41
PTAFR P25105 3/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.40
MMP12 P39900 2/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
PSMB5 P28074 1/20 0.39
ECE1 P42892 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
PPARG P37231 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL7966197 0.88 PTAFR (0.42) ADAMTS4PTAFRPOLBHPGDHTT
SCHEMBL7977066 0.88 PTAFR (0.42) ADAMTS4PTAFRPOLBHPGDHTT
SCHEMBL7980129 0.88 PTAFR (0.42) ADAMTS4PTAFRPOLBHPGDHTT
SCHEMBL7976863 0.88 PTAFR (0.42) ADAMTS4PTAFRPOLBHPGDHTT
SCHEMBL7978664 0.88 PTAFR (0.42) ADAMTS4PTAFRPOLBHPGDHTT
SCHEMBL7976881 0.88 PTAFR (0.42) ADAMTS4PTAFRPOLBHPGDHTT
SCHEMBL7966771 0.87 POLB (0.41) PTAFRPOLBHPGDHTTSMN1; SMN2
SCHEMBL7983238 0.87 POLB (0.41) PTAFRPOLBHPGDHTTSMN1; SMN2
SCHEMBL7979918 0.86 MMP13 (0.43) ADAMTS4PTAFRHPGDMMP12CYP11B1
SCHEMBL7979913 0.86 MMP13 (0.43) ADAMTS4PTAFRHPGDMMP12CYP11B1

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