SCHEMBL3970141

SCHEMBL3970141

CC(=O)OC1CCCC(CC(=O)C(C)(C)C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP19A1 P11511 5/20 0.30
ACE P12821 1/20 0.30

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
SCHEMBL27684838 0.83 NAAA (0.33) TP53L3MBTL1CYP19A1
SCHEMBL3607831 0.76 TP53 (0.50) TP53L3MBTL1ACE
SCHEMBL27684837 0.73 KMT2A (0.38) TP53L3MBTL1
SCHEMBL13543202 0.69 NPC1 (0.42)
SCHEMBL14752946 0.69 CCR2 (0.45) L3MBTL1
SCHEMBL27665848 0.66 ALDH1A1 (0.34) TP53L3MBTL1CHRM2CHRM4CHRM1
SCHEMBL9817590 0.64 TP53 (0.54) TP53L3MBTL1CYP19A1
SCHEMBL9817586 0.64 TP53 (0.54) TP53L3MBTL1CYP19A1
SCHEMBL9817595 0.64 TP53 (0.54) TP53L3MBTL1CYP19A1
SCHEMBL12208661 0.64 LIPA (0.44) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748982-B1 (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2009-07-29 EP disclosed
EP-1748982-A1 (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2007-02-07 EP disclosed
WO-2005108362-A1 (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2005-11-17 WO disclosed