SCHEMBL3870640

SCHEMBL3870640

Cc1cc([S+]2CCCC2)cc(C)c1O.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

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
CYTH2 Q99418 2/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 6/20 0.37
GAA P10253 5/20 0.37
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 3/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
TTR P02766 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DUSP5 Q16690 1/20 0.34
DUSP6 Q16828 1/20 0.34
POLB P06746 3/20 0.34
MAPT P10636 3/20 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
SCHEMBL7047390 0.84 BRD4 (0.45) KMT2AMEN1ALDH1A1GAAPTGS1
SCHEMBL4419486 0.84 CA1 (0.34) CYTH2KMT2AMEN1ALDH1A1TTR
SCHEMBL2900940 0.80 HTR6 (0.37) KMT2AMEN1ALDH1A1GAAALOX15
SCHEMBL2901159 0.80 ESR1 (0.39) KMT2AMEN1GAATSHRLMNA
Trifluoromethanesulfonic Acid SCHEMBL36229 0.78 BRD4 (0.32) KMT2AALDH1A1PTGS1PTGS2MAPT
SCHEMBL136578 0.78 CA1 (0.44) KMT2AMEN1ALDH1A1GAAHTT
SCHEMBL3871384 0.78 ALDH1A1 (0.40) ALDH1A1GAAHTTTSHRSMN1; SMN2
SCHEMBL4401013 0.78 GAA (0.41) KMT2AMEN1ALDH1A1GAAPKM
Trifluoromethanesulfonic Acid SCHEMBL36187 0.77 ACHE (0.33) KMT2ABRD4
SCHEMBL134940 0.77 ACHE (0.44) KMT2AMEN1ALDH1A1GAATTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638261-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-12-29 US disclosed
US-20090148790-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2009-06-11 US disclosed
US-7521169-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-04-21 US disclosed
US-20060234153-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-19 US disclosed
EP-1557718-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-07-27 EP disclosed
US-20030219680-A1 Photoresists useful for microfabrication utilizing deep ultraviolet rays such as an excimer laser, x-rays such as synchrotron radiation, and electron beams JSR CORPORATION (JP) 2003-11-27 US disclosed