SCHEMBL5336901

SCHEMBL5336901

CCOc1ccc2[nH]c(=O)c(Cc3ccccc3)c(O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.68
KDM4E B2RXH2 9/20 0.68
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
MAPT P10636 3/20 0.65
HSD17B10 Q99714 5/20 0.50
ESR2 Q92731 1/20 0.50
TSHR P16473 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
HPGD P15428 4/20 0.46
POLB P06746 2/20 0.46
PARP1 P09874 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL16460086 0.81 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL15648890 0.79 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL5313245 0.78 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL30293261 0.75 HSD17B10 (0.62) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL14486713 0.75 HSD17B10 (0.62) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7119124 0.71 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL19583371 0.69 HSD17B10 (0.65) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL19242935 0.69 KDM4E (0.66) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL14907054 0.69 KDM4E (0.79) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7032301 0.69 HSD17B10 (0.61) ALDH1A1KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed