SCHEMBL9469895

SCHEMBL9469895

COCCOCC(CC1(C(=O)NC2CCC(C(=O)Oc3ccc4c(c3)CCC4)CC2)CCCC1)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.80
PPARG P37231 3/20 0.36
PPARD Q03181 3/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.33
PPARA Q07869 1/20 0.33
POLB P06746 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
SCHEMBL9469891 1.00 MME (0.80) MMEPPARGPPARDKDM4EALDH1A1
SCHEMBL9470376 0.94 MME (0.88) MMEPPARGPPARDKDM4EALDH1A1
Candoxatril SCHEMBL14660450 0.92 MME (0.95) MMEPPARGPPARDKDM4EPPARA
SCHEMBL9469547 0.90 MME (0.77) MMEPPARGPPARDKDM4EALDH1A1
SCHEMBL9469545 0.90 MME (0.77) MMEPPARGPPARDKDM4EALDH1A1
Candoxatril SCHEMBL1649937 0.89 MME (1.00) MMEPPARGPPARDKDM4EPPARA
Candoxatril SCHEMBL121666 0.89 MME (1.00) MMEPPARGPPARDKDM4EPPARA
Candoxatril SCHEMBL5601069 0.89 MME (1.00) MMEPPARGPPARDKDM4EPPARA
Candoxatril SCHEMBL29494166 0.89 MME (1.00) MMEPPARGPPARDKDM4EPPARA
Candoxatril SCHEMBL392920 0.89 MME (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274234-B1 SPIRO-SUBSITUTED GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1991-09-11 EP claimed
EP-0274234-A2 Spiro-subsituted glutaramide diuretic agents Pfizer Limited (GB) 1988-07-13 EP claimed
US-5192800-A Hypotensive agents PFIZER INC. (US) 1993-03-09 US disclosed
EP-0274234-B1 SPIRO-SUBSITUTED GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1991-09-11 EP disclosed
US-5030654-A Glutaramide diuretic agents PFIZER INC. (US) 1991-07-09 US disclosed
EP-0274234-A2 Spiro-subsituted glutaramide diuretic agents Pfizer Limited (GB) 1988-07-13 EP disclosed