SCHEMBL7979898

SCHEMBL7979898

CCC(Oc1ccc(-c2ccc(C#N)c(Cl)c2)cc1)C(O)CCc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.39
CYP11B2 P19099 6/20 0.38
CYP11B1 P15538 4/20 0.38
GRM2 Q14416 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
PTAFR P25105 1/20 0.35
SLC22A12 Q96S37 2/20 0.35
CYP19A1 P11511 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL7979900 1.00 PGK1 (0.39) PGK1CYP11B2CYP11B1GRM2PPARG
SCHEMBL7982496 0.89 CYP11B2 (0.39) PGK1CYP11B2CYP11B1PPARGNCOA2
SCHEMBL7982493 0.89 CYP11B2 (0.39) PGK1CYP11B2CYP11B1PPARGNCOA2
SCHEMBL7966680 0.87 KCNJ1 (0.37) CYP11B2CYP11B1PPARGNCOA2NCOA1
SCHEMBL7966683 0.87 KCNJ1 (0.37) CYP11B2CYP11B1PPARGNCOA2NCOA1
SCHEMBL7976683 0.80 CYP19A1 (0.42) CYP11B2CYP11B1PPARGNCOA2NCOA1
SCHEMBL7976679 0.80 CYP19A1 (0.42) CYP11B2CYP11B1PPARGNCOA2NCOA1
SCHEMBL8020645 0.80 CYP19A1 (0.42) CYP11B2CYP11B1PPARGNCOA2NCOA1
SCHEMBL7982723 0.79 PTAFR (0.38) PPARGNCOA2NCOA1NCOA3MRGPRX4
SCHEMBL7982720 0.79 PTAFR (0.38) PPARGNCOA2NCOA1NCOA3MRGPRX4

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