SCHEMBL13052218

SCHEMBL13052218

Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCCOC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 7/20 0.38
SCN8A Q9UQD0 3/20 0.37
HTR2A P28223 3/20 0.34
HTR7 P34969 2/20 0.34
HTR1A P08908 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR6 P50406 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PLAU P00749 1/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 3/20 0.32
SCN1A P35498 2/20 0.32
SCN5A Q14524 2/20 0.32
SCN9A Q15858 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL13052217 0.87 SCN4A (0.38) SCN4ASCN8AHTR2ALMNASCN1A
SCHEMBL10170775 0.80 LTA4H (0.46) SCN8AMEN1KMT2AATMLMNA
Hydrochloric Acid SCHEMBL29816199 0.79 SCN4A (0.36) SCN4ASCN8AHTR2AHTR7HTR1A
SCHEMBL13052215 0.78 HPGD (0.42) ATMLMNAMAPTL3MBTL1ALDH1A1
SCHEMBL13052284 0.78 HTR2A (0.33) SCN4ASCN8AHTR2AHTR7HTR1A
SCHEMBL98571 0.78 ALDH1A1 (0.41) SCN4ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12016462 0.78 MEN1 (0.37) MEN1KMT2APLAUATMMAPT
SCHEMBL98712 0.78 THRA (0.47) HTR2AHTR1AMEN1KMT2AATM
SCHEMBL2601698 0.78 SCN8A (0.33) SCN4ASCN8AHTR2AHTR7HTR1A
SCHEMBL13052319 0.78 SLC7A5 (0.38) SCN8AMEN1KMT2ALMNATSHR

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-8298748-B2 Positive resist composition, method of forming resist pattern, and polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2012-10-30 US disclosed
US-20100297560-A1 POSITIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND POLYMERIC COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2010-11-25 US disclosed