SCHEMBL5527765

SCHEMBL5527765

CC(I)(C(=O)O)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 5/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 6/20 0.42
CYP1A2 P05177 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 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
SCHEMBL15023884 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL29291615 0.77 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL2396985 0.75 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL571692 0.75 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTHSD17B10
Formaldehyde SCHEMBL28437274 0.74 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL6529935 0.72 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL6891824 0.72 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL6529936 0.72 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL12051043 0.72 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL10700707 0.72 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851403-B2 Cyclin-dependent kinase substrate SYSMEX CORPORATION (JP) 2020-12-01 US disclosed
US-20180334702-A1 CYCLIN-DEPENDENT KINASE SUBSTRATE SYSMEX CORPORATION (JP) 2018-11-22 US disclosed
EP-3404038-A1 CYCLIN-DEPENDENT KINASE SUBSTRATE SYSMEX CORPORATION (JP) 2018-11-21 EP disclosed
US-8309298-B2 Method for detecting protein SYSMEX CORPORATION (JP) 2012-11-13 US disclosed
US-20070264624-A1 METHOD FOR DETERMINING ACTIVITY OF CELL CYCLE REGULATORY FACTOR AND METHOD FOR DIAGNOSING CANCER USING THE SAME ISHIHARA HIDEKI 2007-11-15 US disclosed
US-20070105177-A1 Method for detecting analyte in sample, method for quantifying activity of enzyme, and method for quantifying protein in sample SYSMEX CORPORATION 2007-05-10 US disclosed
EP-1767943-A2 Method for detecting analyte in sample Sysmex Corporation (JP) 2007-03-28 EP disclosed
WO-1994002640-A1 MULTI REPORTER-LABELED NUCLEIC ACID PROBES APROGENEX, INC. (US) 1994-02-03 WO disclosed