SCHEMBL3872275

SCHEMBL3872275

CCCCOc1c(C)cc([S+]2CCCC2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
ALDH1A1 P00352 3/20 0.34
HTR1A P08908 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
ADRA1A P35348 1/20 0.32
ESR1 P03372 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
Trifluoromethanesulfonic Acid SCHEMBL3876850 0.85 KCNH2 (0.34) THRATHRBS1PR2S1PR1S1PR3
SCHEMBL3882556 0.84 GAA (0.36) ALDH1A1KDM4EMAPTTSHR
SCHEMBL3871384 0.83 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL3876688 0.83 THRA (0.33) THRATHRBTSHR
SCHEMBL3871480 0.80 TSHR (0.31) TSHR
SCHEMBL7158786 0.79 SCN8A (0.35) ALDH1A1TSHR
SCHEMBL3873622 0.79 TSHR (0.31) TSHR
SCHEMBL3878047 0.78 FAAH (0.32) ALDH1A1MAPTTSHR
SCHEMBL3874688 0.78 FFAR4 (0.32) ALDH1A1TSHR
SCHEMBL11586422 0.74 KMT2A (0.46) THRATHRBALDH1A1HTR1AKDM4E

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