SCHEMBL3872145

SCHEMBL3872145

CCCOC(=O)Oc1ccc([S+]2CCCC2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
LMNA P02545 3/20 0.36
TYMS P04818 1/20 0.36
ELANE P08246 2/20 0.36
MAOB P27338 2/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
ALOX5 P09917 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 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
SCHEMBL3154441 0.93 ELANE (0.44) ALDH1A1LMNATYMSELANECNR1
SCHEMBL3872104 0.90 TYMS (0.45) ALDH1A1LMNATYMSL3MBTL1TSHR
Trifluoromethanesulfonic Acid SCHEMBL646751 0.89 MMP2 (0.33) ALDH1A1TYMSELANEMAOBCNR1
SCHEMBL3149411 0.84 MMP2 (0.31) MMP2MMP9MMP14
SCHEMBL3150432 0.84 MMP2 (0.30) MMP2MMP9MMP14
SCHEMBL23271705 0.84 ALDH1A1 (0.50) ALDH1A1LMNATYMSELANEMAOB
Trifluoromethanesulfonic Acid SCHEMBL645685 0.83 ELANE (0.40) ELANECNR1CNR2L3MBTL1TSHR
SCHEMBL3870181 0.83 HSD17B10 (0.42) ALDH1A1LMNAL3MBTL1TSHRGAA
Trifluoromethanesulfonic Acid SCHEMBL6566199 0.83 ELANE (0.36) ALDH1A1TYMSELANEGAASMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL645884 0.80 TYMS (0.38) ALDH1A1LMNATYMSL3MBTL1TSHR

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 13 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-20080187859-A1 Radiation-Sensitive Resin Composition JSR CORPORATION (JP) 2008-08-07 US disclosed
US-20070269735-A1 Radiation-Sensitive Resin Composition JSR CORPORATION (JP) 2007-11-22 US disclosed
US-7297461-B2 Radiation sensitive resin composition JSR CORPORATION (JP) 2007-11-20 US disclosed
EP-1736829-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2006-12-27 EP disclosed
EP-1726608-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2006-11-29 EP disclosed
US-20060234153-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-19 US disclosed
US-20050171226-A1 Radiation sensitive resin composition JSR CORPORATION (JP) 2005-08-04 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
US-20030170561-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2003-09-11 US disclosed