SCHEMBL9221998

SCHEMBL9221998

Oc1cc(C(F)(F)F)cc(C2(O)CCOCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.35
SYK P43405 1/20 0.33
PDE2A O00408 3/20 0.33
PDE10A Q9Y233 3/20 0.33
OPRM1 P35372 7/20 0.33
OPRK1 P41145 4/20 0.33
OPRD1 P41143 4/20 0.32
HRH3 Q9Y5N1 1/20 0.32
S1PR2 O95136 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM1A O60341 1/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL9226945 0.79 ALOX5 (0.38) ALOX5
SCHEMBL1599387 0.78 ALOX5 (0.42) OPRL1OPRM1OPRK1OPRD1HRH3
SCHEMBL24397813 0.76 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1HRH3
SCHEMBL9222785 0.76 ALOX5 (0.40) ALOX5
SCHEMBL9224526 0.75 ALOX5 (0.47) ALOX5
SCHEMBL18726215 0.72 OPRL1 (0.43) OPRL1OPRM1OPRK1OPRD1HDAC3
SCHEMBL9458313 0.71 OPRL1 (0.43) OPRL1ALOX5
SCHEMBL9458201 0.71 OPRL1 (0.43) OPRL1SYKOPRM1OPRK1OPRD1
SCHEMBL9458388 0.71 MMP2 (0.42) OPRL1PDE2APDE10AOPRM1HRH3
SCHEMBL9223136 0.71 ALOX5 (0.54) OPRL1ALOX5

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 9 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
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 US disclosed
EP-0375404-B1 Heterocyclic derivatives ICI PLC (GB) 1994-02-09 EP disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5234950-A Antiallergens, antiinflammatory agents; cardiovascular disorders, antiarthritic IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 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-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed