SCHEMBL9751561

SCHEMBL9751561

CCC(O)(CCC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 1/20 0.54
THRB P10828 1/20 0.54
NAALAD2 Q9Y3Q0 1/20 0.42
FFAR3 O14843 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
AKR1B1 P15121 1/20 0.37
LMNA P02545 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
GPR84 Q9NQS5 7/20 0.36
PPARG P37231 7/20 0.36
PPARD Q03181 7/20 0.36
PPARA Q07869 7/20 0.36

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
SCHEMBL3105548 0.85 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL380063 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL6912305 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL283370 0.79
SCHEMBL3019322 0.79 TSHR (0.46) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL111251 0.78 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL258974 0.78 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL13780139 0.78 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL28957165 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL13780141 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP1A2THRB

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-0393180-A4 26-AMINOCHOLESTEROL AND DERIVATIVES AND ANALOGS THEREOF IN THE REGULATION OF CHOLESTEROL ACCUMULATION IN BODY TISSUE 1991-05-08 EP disclosed
EP-0393180-A1 26-AMINOCHOLESTEROL AND DERIVATIVES AND ANALOGS THEREOF IN THE REGULATION OF CHOLESTEROL ACCUMULATION IN BODY TISSUE. UNIV NEW YORK (US) 1990-10-24 EP disclosed
WO-1990003171-A1 26-AMINOCHOLESTEROL AND DERIVATIVES AND ANALOGS THEREOF IN THE REGULATION OF CHOLESTEROL ACCUMULATION IN BODY TISSUE NEW YORK UNIVERSITY (US) 1990-04-05 WO disclosed