SCHEMBL4708955

SCHEMBL4708955

COc1ccc2oc(=O)c(C(=O)C34CC5CC(CC(C5)C3)C4)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.66
KDM4E B2RXH2 7/20 0.63
ALDH1A1 P00352 6/20 0.63
HPGD P15428 3/20 0.63
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA3 P07451 1/20 0.63
CA6 P23280 1/20 0.63
CA5A P35218 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
CA5B Q9Y2D0 1/20 0.63
GAA P10253 3/20 0.59
GLA P06280 1/20 0.58
MAOB P27338 4/20 0.57
MAPT P10636 3/20 0.55
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL4712242 0.91 ALDH1A1 (0.63) CASP1KDM4EALDH1A1HPGDCA12
SCHEMBL11511324 0.86 ALDH1A1 (0.72) CASP1KDM4EALDH1A1HPGDCA12
SCHEMBL5505992 0.84 CASP1 (0.53) CASP1KDM4EALDH1A1HPGDCA12
SCHEMBL4708974 0.83 GRIN1 (0.59) CASP1KDM4EALDH1A1HPGDGAA
SCHEMBL4711427 0.81 MAOB (0.56) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL2032914 0.79 KDM4E (0.81) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL978456 0.78 KDM4E (1.00) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL7527810 0.78 ALDH1A1 (1.00) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL29963204 0.78 KDM4E (1.00) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL8242930 0.77 ALDH1A1 (0.53) CASP1KDM4EALDH1A1HPGDCA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957475-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-08-20 EP disclosed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed