SCHEMBL8844792

SCHEMBL8844792

COc1ccc(Oc2ccc(OC(=O)N3CCC(C)CC3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
NPY2R P49146 1/20 0.57
LIPE Q05469 1/20 0.57
HPGD P15428 2/20 0.57
POLB P06746 4/20 0.53
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47

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
SCHEMBL8262692 0.95 GAA (0.74) GAANPC1RAB9ANPY2RLIPE
SCHEMBL8844984 0.88 GAA (0.68) GAANPC1RAB9ANPY2RLIPE
SCHEMBL2597837 0.88 GAA (0.88) GAANPC1RAB9ANPY2RLIPE
SCHEMBL22081168 0.87 GAA (0.63) GAANPY2RLIPEHPGDPOLB
SCHEMBL8844803 0.87 GAA (0.67) GAANPC1RAB9ALIPEHPGD
SCHEMBL10458999 0.83 GAA (0.74) GAANPC1RAB9ANPY2RLIPE
SCHEMBL8262856 0.82 GAA (0.72) GAANPC1RAB9ANPY2RLIPE
SCHEMBL10458902 0.82 GAA (0.72) GAANPC1RAB9ALIPEHPGD
SCHEMBL470967 0.81 GAA (1.00) GAANPC1RAB9ANPY2RLIPE
SCHEMBL9542192 0.81 GAA (0.75) GAANPC1RAB9ANPY2RLIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602151-A ADMINISTERING TO MAMMALS TO REDUCE SERUM CHOLESTEROL LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-11 US claimed
US-5602151-A ADMINISTERING TO MAMMALS TO REDUCE SERUM CHOLESTEROL LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-11 US disclosed
US-5512565-A REDUCE CHOLESTEROL ABSORPTION IN MAMMALS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-30 US disclosed
US-5391571-A Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-02-21 US disclosed
EP-0428385-A1 Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-22 EP disclosed