SCHEMBL6884791

SCHEMBL6884791

CCCC(C(C(=O)O)C(=O)O)N1C(=O)/C(=C\c2ccc(OC)c(C)c2OC)SC1=S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 3/20 0.48
CTNNB1 P35222 1/20 0.46
TCF7L2 Q9NQB0 1/20 0.46
PTPN1 P18031 3/20 0.45
POLB P06746 3/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 3/20 0.43
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL6884792 1.00 MAPT (0.53) MAPTNPSR1KMT2AMEN1ALDH1A1
SCHEMBL6885446 0.88 MAPT (0.49) MAPTNPSR1KMT2AMEN1ALDH1A1
SCHEMBL6885443 0.88 MAPT (0.49) MAPTNPSR1KMT2AMEN1ALDH1A1
SCHEMBL6884952 0.85 MAPT (0.68) MAPTNPSR1KMT2AMEN1ALDH1A1
SCHEMBL6884294 0.83 MAPT (0.66) MAPTNPSR1KMT2AMEN1ALDH1A1
SCHEMBL6884298 0.83 MAPT (0.66) MAPTNPSR1KMT2AMEN1ALDH1A1
SCHEMBL6884981 0.80 MEN1 (0.55) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL6884972 0.80 MEN1 (0.55) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL6884794 0.79 CTNNB1 (0.50) MAPTNPSR1KMT2AMEN1ALDH1A1
SCHEMBL6882967 0.78 PTPN1 (0.55) MAPTNPSR1KMT2AMEN1ALDH1A1

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
US-6673816-B1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders Esswein, Angelika (DE) 2004-01-06 US disclosed
EP-1117655-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS Esswein, Angelika (DE) 2001-07-25 EP disclosed
WO-2000018747-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed