SCHEMBL7329032

SCHEMBL7329032

CCCCC(C)(C)C(F)(F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.39
FAAH O00519 8/20 0.39
CES1 P23141 5/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
AKR1B1 P15121 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
SCHEMBL5523415 0.86 FFAR1 (0.43) CES2LPAR1LPAR3
SCHEMBL7825586 0.79 CES2 (0.43) CES2FAAHCES1MEN1CYP1A2
SCHEMBL7825590 0.79 CES2 (0.43) CES2FAAHCES1MEN1CYP1A2
SCHEMBL20047449 0.78 CES2 (0.48) CES2FAAHCES1MEN1CYP1A2
SCHEMBL28653124 0.77 AKR1B1 (0.37) MEN1KMT2AHSD17B10AKR1B1
SCHEMBL1114580 0.77 ACLY (0.38) MEN1KMT2AHSD17B10AKR1B1
SCHEMBL20047566 0.77 ACLY (0.39) FAAHMEN1CYP1A2KMT2A
SCHEMBL6909109 0.76 AKR1B1 (0.36) MEN1KMT2AHSD17B10AKR1B1
SCHEMBL29275052 0.76 ACLY (0.36) MEN1KMT2AHSD17B10AKR1B1
SCHEMBL23502535 0.75 CES2 (0.50) CES2FAAHCES1MEN1CYP1A2

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-0610439-B1 PYRIMIDOCYCLOALKANES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PROD (US) 1999-12-15 EP disclosed
EP-0610439-A1 PYRIMIDOCYCLOALKANES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-17 EP disclosed
US-5234936-A Treating hypertension, congestive heart failure, hyperlipidemia and hypercholesterolemia AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-10 US disclosed
WO-1993008171-A1 PYRIMIDOCYCLOALKANES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-29 WO disclosed