SCHEMBL20761671

SCHEMBL20761671

NC1CCCCCCCC2CC12

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL23079346 1.00 THRB (0.47) THRBMEN1KMT2AALDH1A1
SCHEMBL20934549 0.82 THRB (0.44) THRBMEN1KMT2AALDH1A1
SCHEMBL20664064 0.82 THRB (0.44) THRBMEN1KMT2AALDH1A1
SCHEMBL25263661 0.82 THRB (0.44) THRBMEN1KMT2AALDH1A1
SCHEMBL28498275 0.80 THRB (0.35) THRBMEN1KMT2A
SCHEMBL28917804 0.80 THRB (0.35) THRBMEN1KMT2A
Hydrochloric Acid SCHEMBL25302442 0.80 THRB (0.42) THRBMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL25302443 0.80 THRB (0.42) THRBMEN1KMT2AALDH1A1
SCHEMBL22623114 0.80 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL20842559 0.80 THRB (0.50) THRBMEN1KMT2AALDH1A1

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-20190054227-A1 ADSORBING MATERIAL FOR MULTIPLE PATHOGENIC FACTORS OF SEPSIS AS WELL AS PREPARATION METHOD AND APPLICATION THEREOF CHONGQING ZHENGBO BIOTECHNOLOGY CO. LTD. (CN) 2019-02-21 US disclosed