SCHEMBL9224261

SCHEMBL9224261

COCOc1cccc(C2(O)CCOCC2O)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.39
ALOX5 P09917 10/20 0.39
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC22A1 O15245 3/20 0.38
OPRM1 P35372 3/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL9228211 0.82 ALOX5 (0.46) ALOX5
SCHEMBL9211596 0.82 ALOX5 (0.46) ALOX5
SCHEMBL9208096 0.80 ALOX5 (0.48) NPY1RALOX5OPRM1OPRD1OPRK1
SCHEMBL9279813 0.75 ALOX5 (0.41) NPY1RALOX5SLC6A2SLC6A4OPRM1
SCHEMBL9218794 0.75 ALOX5 (0.65) ALOX5
SCHEMBL13959797 0.73 NPY1R (0.46) NPY1RALOX5OPRD1
SCHEMBL9124520 0.73 SLC6A4 (0.47) NPY1RALOX5SLC6A2SLC6A4SLC22A1
SCHEMBL9307600 0.70 FFAR1 (0.42) NPY1RALOX5MEN1KMT2A
SCHEMBL9223149 0.70 OPRM1 (0.41) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL3151476 0.70 SMN1; SMN2 (0.43) NPY1RALOX5SLC6A2

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-5403859-A PHENYLENE-CYCLIC ETHER COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-04 US disclosed
EP-0375404-B1 Heterocyclic derivatives ICI PLC (GB) 1994-02-09 EP disclosed
US-5234950-A Antiallergens, antiinflammatory agents; cardiovascular disorders, antiarthritic IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed
US-5098930-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-24 US disclosed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed