SCHEMBL6604038

SCHEMBL6604038

CCc1c(C#N)c(OC)c2c(CC)cccc2c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GRIA2 P42262 3/20 0.35
GRIA4 P48058 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MAPK1 P28482 1/20 0.34
STAT3 P40763 1/20 0.34
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6605648 0.90 PPARA (0.38) PPARAALDH1A1HPGDPOLBKDM4E
SCHEMBL6606806 0.88 PPARA (0.36) PPARAALDH1A1HPGDPOLBGRIA2
SCHEMBL6604435 0.85 GRIA4 (0.36) PPARAALDH1A1HPGDPOLBGRIA2
SCHEMBL6603036 0.85 ALDH1A1 (0.40) ALDH1A1HPGDPOLBKDM4EGRIA2
SCHEMBL6604272 0.80 METAP2 (0.34) PPARAGRIA2GRIA4
SCHEMBL6264080 0.76 PPARA (0.40) PPARAALDH1A1KDM4ECA12CA1
SCHEMBL6607689 0.73 ALDH1A1 (0.37) ALDH1A1HPGDPOLBKDM4EGRIA2
SCHEMBL6603196 0.72 ALDH1A1 (0.46) ALDH1A1HPGDPOLBKDM4EGRIA2
SCHEMBL6604031 0.72 SMN1; SMN2 (0.46) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL3701251 0.71 KDM4E (0.44) PPARAALDH1A1HPGDPOLBKDM4E

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
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed