SCHEMBL9933271

SCHEMBL9933271

C=CCN(CC=C)C(C)c1ccccc1.COS(=O)(=O)O

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP2C19 P33261 1/20 0.36
ESR1 P03372 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
KDM4E B2RXH2 3/20 0.35
DAGLA Q9Y4D2 1/20 0.35
KMT2A Q03164 3/20 0.35
GMNN O75496 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MMP13 P45452 1/20 0.35
MEN1 O00255 2/20 0.34

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
SCHEMBL15389719 0.88 HCAR2 (0.35) RAB9ATSHRALOX5CYP2C19ESR1
SCHEMBL1137366 0.84 HTR2A (0.39) ALOX5CYP2C19ALDH1A1TDP1
SCHEMBL9934658 0.83 RAB9A (0.38) RAB9ATSHRCYP2C19ESR1KDM4E
Bromide SCHEMBL9933509 0.83 HTR2A (0.38) ALOX5CYP2C19ALDH1A1TDP1
Hydrochloric Acid SCHEMBL1898617 0.83 TDP1 (0.39) ALOX5CYP2C19KMT2AALDH1A1MAPT
Iodide SCHEMBL9934390 0.83 HTR2A (0.38) ALOX5CYP2C19ALDH1A1TDP1
SCHEMBL7166960 0.78 ALOX5 (0.42) RAB9ATSHRALOX5CYP2C19KDM4E
SCHEMBL28754589 0.75 MEN1 (0.41) KMT2AMEN1
SCHEMBL7704844 0.74 TSHR (0.39) RAB9ATSHRALOX5CYP2C19ESR1
SCHEMBL15389921 0.73 SMN1; SMN2 (0.34) RAB9ATSHRCYP2C19ESR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9159352-B2 Polishing liquid composition for magnetic disk substrate KAO CORPORATION (JP) 2015-10-13 US disclosed
US-20140001155-A1 MANUFACTURING METHOD OF MAGNETIC DISK SUBSTRATE KAO CORPORATION (JP) 2014-01-02 US disclosed
US-20130309946-A1 METHOD FOR MANUFACTURING MAGNETIC DISC SUBSTRATE KAO CORPORATION (JP) 2013-11-21 US disclosed
US-20120156968-A1 POLISHING LIQUID COMPOSITION FOR MAGNETIC DISK SUBSTRATE KAO CORPORATION (JP) 2012-06-21 US disclosed