SCHEMBL11079264

SCHEMBL11079264

COc1ccc(-c2nc(-c3ccc(F)cc3)n(CCC(=O)O)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
FAAH O00519 1/20 0.48
GAA P10253 1/20 0.47
MAPK14 Q16539 2/20 0.46
PTGS2 P35354 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.45
AKR1B10 O60218 1/20 0.45
TEK Q02763 1/20 0.43
BCHE P06276 2/20 0.42

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
SCHEMBL8112509 0.82 FAAH (0.55) FAAHBCHE
SCHEMBL27182064 0.82 PTGDR2 (0.48) CASP3SENP8SENP7SENP6GAA
SCHEMBL8112175 0.82 FAAH (0.55) FAAHBCHE
SCHEMBL27157063 0.81 PTGDR2 (0.47) CASP3SENP8SENP7SENP6FAAH
SCHEMBL31269654 0.81 BCHE (0.47) CASP3SENP8SENP7SENP6FAAH
SCHEMBL27152451 0.78 ALDH1A1 (0.49) PTGDR2AKR1B10BCHE
SCHEMBL8008240 0.78 KDM4E (0.63) GAATEKBCHE
SCHEMBL7996428 0.75 KDM4E (0.53) GAATEKBCHE
SCHEMBL8104149 0.75 FAAH (0.70) FAAHGAABCHE
SCHEMBL8104170 0.75 FAAH (0.70) FAAHGAABCHE

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-4424229-A ANALGESICS A/S DUMEX (DUMEX LTD.) (DK) 1984-01-03 US disclosed
EP-0005219-B1 ARYLIMIDAZOLES, THEIR SYNTHESIS AND PHARMACEUTICAL OR VETERINARY PREPARATIONS CONTAINING THEM A/S Dumex (Dumex Ltd.) (DK) 1981-07-22 EP disclosed
EP-0005219-A1 Arylimidazoles, their synthesis and pharmaceutical or veterinary preparations containing them A/S Dumex (Dumex Ltd.) (DK) 1979-11-14 EP disclosed