SCHEMBL4169752

SCHEMBL4169752

O=C1CCCCC1[S+](C1CCCCC1)C1CC2CCC1C2.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.41

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 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL7047146 0.88 EPHX2 (0.32)
SCHEMBL4165403 0.84 KMT2A (0.33) CA1CA2
SCHEMBL4164982 0.83
Trifluoromethanesulfonic Acid SCHEMBL4165039 0.83
SCHEMBL7048129 0.81 MEN1 (0.34)
SCHEMBL4165959 0.79
SCHEMBL4179254 0.78
SCHEMBL7048765 0.75
SCHEMBL7049130 0.74
SCHEMBL64538 0.67 ALDH1A1 (0.40) MAPTALDH1A1GAATSHRCA12

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 3 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-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