SCHEMBL9934658

SCHEMBL9934658

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

nearest known ligand 0.38

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 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
ESR1 P03372 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR5 P51681 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL15389921 0.90 SMN1; SMN2 (0.34) RAB9ATRPM8SMN1; SMN2TSHRCYP2C19
SCHEMBL11870472 0.85 HTR2A (0.39) TRPM8SMN1; SMN2CYP2C19TDP1POLB
Bromide SCHEMBL9934306 0.84 HTR2A (0.38) TRPM8SMN1; SMN2CYP2C19TDP1POLB
Iodide SCHEMBL9933723 0.84 HTR2A (0.38) TRPM8SMN1; SMN2CYP2C19TDP1POLB
Hydrochloric Acid SCHEMBL9934286 0.84 TDP1 (0.41) TRPM8SMN1; SMN2CYP2C19TDP1POLB
SCHEMBL9933271 0.83 RAB9A (0.39) RAB9ASMN1; SMN2TSHRCYP2C19ESR1
SCHEMBL15389719 0.75 HCAR2 (0.35) RAB9ATSHRCYP2C19ESR1ALDH1A1
SCHEMBL27887905 0.73 MEN1 (0.39) MEN1KMT2A
SCHEMBL6391995 0.73 CYP2C19 (0.41) SMN1; SMN2CYP2C19ESR1KDM4ETDP1
SCHEMBL6391998 0.73 CYP2C19 (0.41) SMN1; SMN2CYP2C19ESR1KDM4ETDP1

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