SCHEMBL9257833

SCHEMBL9257833

CCCCNC(=O)Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.63
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HDAC3 O15379 1/20 0.58
BCHE P06276 1/20 0.57
LIPE Q05469 1/20 0.57

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
SCHEMBL9263670 0.94 MGLL (0.70) MGLL
SCHEMBL9268320 0.94 MGLL (0.70) MGLL
SCHEMBL1891640 0.94 MGLL (0.66) MGLL
SCHEMBL1456951 0.89 MGLL (0.70) MGLL
SCHEMBL11668425 0.89 MGLL (0.77) MGLLBCHELIPE
SCHEMBL9266774 0.88 MGLL (0.63) MGLLBCHELIPE
SCHEMBL9270490 0.88 MGLL (0.63) MGLLGAABCHELIPE
SCHEMBL28570445 0.88 MGLL (0.73) MGLL
SCHEMBL22472046 0.88 MGLL (0.73) MGLL
SCHEMBL21891896 0.88 MGLL (0.73) MGLL

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
US-5391571-A Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-02-21 US claimed
EP-0428385-A1 Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-22 EP claimed
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