SCHEMBL7322664

SCHEMBL7322664

COCCOC[C@H](CC1(C(=O)N[C@H]2CC[C@@H](OC(=O)O)CC2)CCCC1)C(=O)Oc1ccc2c(c1)CCC2

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.83
PPARG P37231 3/20 0.35
PPARD Q03181 2/20 0.35
KDM4E B2RXH2 2/20 0.34
PPARA Q07869 1/20 0.34
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
SMYD3 Q9H7B4 2/20 0.31

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
SCHEMBL7329974 1.00 MME (0.83) MMEPPARGPPARDKDM4EPPARA
Candoxatril SCHEMBL1649937 0.91 MME (1.00) MMEPPARGPPARDKDM4EPPARA
Candoxatril SCHEMBL5601069 0.91 MME (1.00) MMEPPARGPPARDKDM4EPPARA
Candoxatril SCHEMBL29494166 0.91 MME (1.00) MMEPPARGPPARDKDM4EPPARA
Candoxatril SCHEMBL121666 0.91 MME (1.00) MMEPPARGPPARDKDM4EPPARA
Candoxatril SCHEMBL392920 0.91 MME (1.00) MMEPPARGPPARDKDM4EPPARA
SCHEMBL16624679 0.91 MME (0.85) MMEPPARGPPARDKDM4EPPARA
SCHEMBL9470376 0.89 MME (0.88) MMEPPARGPPARDKDM4EPPARA
Candoxatril SCHEMBL14660450 0.89 MME (0.95) MMEPPARGPPARDKDM4EPPARA
SCHEMBL9469895 0.85 MME (0.80) MMEPPARGPPARDKDM4EPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342850-B1 ENANTIOMERIC GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1992-05-20 EP claimed