SCHEMBL3874688

SCHEMBL3874688

CCCCOc1c(C)cc([S+]2CCCC2)cc1C.O=S(=O)([O-])c1ccc(F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
RECQL P46063 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDIA6 Q15084 1/20 0.30

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
SCHEMBL3878047 0.88 FAAH (0.32) FFAR4ALDH1A1TSHRMAPK1RECQL
SCHEMBL3876688 0.84 THRA (0.33) TSHRMAPK1RECQLL3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL3876850 0.80 KCNH2 (0.34) FFAR4TSHRMAPK1RECQLL3MBTL1
SCHEMBL3881857 0.80 KMT2A (0.32)
SCHEMBL3871384 0.80 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1RECQLL3MBTL1
SCHEMBL3872275 0.78 THRA (0.38) ALDH1A1TSHR
SCHEMBL3871480 0.75 TSHR (0.31) TSHRMAPK1RECQLL3MBTL1
SCHEMBL3873622 0.74 TSHR (0.31) TSHRMAPK1RECQLL3MBTL1
SCHEMBL3871061 0.67 CNR2 (0.36)
SCHEMBL3873395 0.67 PTGS1 (0.39) ALDH1A1

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 5 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