SCHEMBL7737501

SCHEMBL7737501

c1ccc(-c2ccc(-c3sccc3-c3ccccc3)cc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.66
MAPK14 Q16539 1/20 0.52
PTGS1 P23219 11/20 0.50
BCAT2 O15382 1/20 0.46

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
SCHEMBL2133316 1.00 PTGS2 (0.66) PTGS2MAPK14PTGS1BCAT2
SCHEMBL2782853 0.98 PTGS2 (0.68) PTGS2MAPK14PTGS1BCAT2
SCHEMBL1681771 0.95 PTGS2 (0.65) PTGS2MAPK14PTGS1BCAT2
Ammonia Solution, Strong SCHEMBL28994523 0.93 PTGS2 (0.62) PTGS2MAPK14PTGS1BCAT2
Hydrogen Sulfide SCHEMBL27804205 0.93 PTGS2 (0.62) PTGS2MAPK14PTGS1BCAT2
SCHEMBL27961786 0.88 PTGS2 (0.58) PTGS2MAPK14PTGS1
Thiophene SCHEMBL8678681 0.87 PTGS2 (0.57) PTGS2MAPK14PTGS1BCAT2
SCHEMBL12270183 0.86 PTGS2 (0.56) PTGS2MAPK14PTGS1BCAT2
SCHEMBL12270289 0.86 PTGS2 (0.56) PTGS2MAPK14PTGS1BCAT2
SCHEMBL27876136 0.84 PTGS2 (0.54) PTGS2MAPK14PTGS1BCAT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214630-A2 MICROFABRICATED DEVICES AND METHOD OF MANUFACTURING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2002-06-19 EP disclosed
WO-2001007506-A2 MICROFABRICATED DEVICES AND METHOD OF MANUFACTURING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2001-02-01 WO disclosed