SCHEMBL3873395

SCHEMBL3873395

Cc1cc([S+]2CCCC2)cc(C)c1O.O=S(=O)([O-])c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.39
PTGS2 P35354 5/20 0.39
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.35
BRD4 O60885 2/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.31
PKLR P30613 1/20 0.31
CCR2 P41597 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
AKR1B1 P15121 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30
KCNH2 Q12809 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
SCHEMBL3881857 0.85 KMT2A (0.32) KMT2A
SCHEMBL3878047 0.80 FAAH (0.32) PTGS1PTGS2ALDH1A1MAPTKCNH2
SCHEMBL4419486 0.78 CA1 (0.34) PTGS1PTGS2KMT2AALOX5BRD4
Trifluoromethanesulfonic Acid SCHEMBL36229 0.76 BRD4 (0.32) PTGS1PTGS2KMT2ABRD4ALDH1A1
SCHEMBL3870640 0.76 CYTH2 (0.44) PTGS1PTGS2KMT2AALOX5BRD4
Trifluoromethanesulfonic Acid SCHEMBL36187 0.75 ACHE (0.33) KMT2ABRD4
SCHEMBL7047390 0.74 BRD4 (0.45) PTGS1PTGS2KMT2ABRD4ALDH1A1
SCHEMBL136578 0.73 CA1 (0.44) PTGS1PTGS2KMT2AALOX5ALDH1A1
SCHEMBL3881541 0.73 LDHA (0.37) PTGS1KMT2APOLBPKLR
Silver SCHEMBL6115455 0.72 AKR1B1 (0.45) POLBALDH1A1MAPTPKMPKLR

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