SCHEMBL775170

SCHEMBL775170

O=C1CCC(=O)C(C(=O)O)C(C(=O)O)C(=O)CCC(=O)CCC(=O)C(C(=O)O)C(C(=O)O)C(=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.32
TRIM33 Q9UPN9 2/20 0.32
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL1879279 0.92 CYP2C19 (0.35) GRM8GRM6GRM2GRM3CYP2C19
SCHEMBL4853650 0.72
SCHEMBL9700492 0.71 EGLN1 (0.33) GRM8GRM6GRM2GRM3CYP2C19
SCHEMBL30037802 0.70 MCL1 (0.33) GRM8GRM6GRM2GRM3ALDH1A1
SCHEMBL27761884 0.69 TLR4 (0.34) ALDH1A1
SCHEMBL27771250 0.69 TLR4 (0.34) ALDH1A1
SCHEMBL190832 0.69 TLR4 (0.34) ALDH1A1
SCHEMBL3974963 0.67 KMT2A (0.36)
SCHEMBL11378401 0.66 AKR1C4 (0.39)
SCHEMBL9541416 0.66 CA1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070353-A1 Process For Separating Off Acidic Gases By Means Of Metal-Organic Frameworks Impregnated With Amines BASF SE (DE) 2012-03-22 US disclosed