SCHEMBL7976785

SCHEMBL7976785

CC(C)NC(=O)Cc1ccc(-c2ccc(O[C@@H](C)[C@H](O)CCc3cccnc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.48
LMNA P02545 2/20 0.46
PTAFR P25105 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNH2 Q12809 1/20 0.42
ACACB O00763 1/20 0.41
MAPT P10636 1/20 0.41
MMP12 P39900 2/20 0.40
GLS O94925 1/20 0.40
GAA P10253 1/20 0.39
CNR2 P34972 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL7976781 1.00 ECE1 (0.48) ECE1LMNAPTAFRPOLBHPGD
SCHEMBL7978383 0.92 LMNA (0.46) ECE1LMNAPTAFRPOLBHPGD
SCHEMBL7978380 0.92 LMNA (0.46) ECE1LMNAPTAFRPOLBHPGD
SCHEMBL7979904 0.89 NAPRT (0.48) ECE1LMNAPTAFRPOLBHPGD
SCHEMBL7979905 0.89 NAPRT (0.48) ECE1LMNAPTAFRPOLBHPGD
SCHEMBL7966499 0.89 SIGMAR1 (0.44) ECE1LMNAPTAFRPOLBHPGD
SCHEMBL7966497 0.89 SIGMAR1 (0.44) ECE1LMNAPTAFRPOLBHPGD
SCHEMBL7979959 0.85 PTAFR (0.47) ECE1LMNAPTAFRPOLBHPGD
SCHEMBL7982544 0.85 ALDH1A1 (0.43) POLBHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL7982543 0.85 ALDH1A1 (0.43) POLBHPGDALDH1A1SMN1; SMN2MAPT

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