SCHEMBL9219871

SCHEMBL9219871

Oc1cccc(C2(O)CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.44
ALOX5 P09917 7/20 0.40
CA12 O43570 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
OPRM1 P35372 5/20 0.38
OPRK1 P41145 3/20 0.38
MEN1 O00255 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1D P28221 1/20 0.38

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
SCHEMBL3946783 0.81 OPRM1 (0.47) OPRD1CA12ALDH1A1CA2LMNA
SCHEMBL1193696 0.80 OPRM1 (0.52) OPRD1ALOX5LMNAOPRM1OPRK1
SCHEMBL9258923 0.80 CYP3A4 (0.38) OPRD1ALOX5CA12ALDH1A1CA2
SCHEMBL9429709 0.80 ALOX5 (0.37) OPRD1ALOX5OPRM1OPRK1HTR1D
SCHEMBL9138011 0.80 OPRD1 (0.63) OPRD1ALOX5OPRM1OPRK1
SCHEMBL932071 0.80 CHRNA1 (0.42) OPRD1ALOX5ALDH1A1LMNAOPRM1
SCHEMBL1598578 0.80 ALOX5 (0.37) OPRD1ALOX5OPRM1OPRK1HTR1D
SCHEMBL1255944 0.78 OPRL1 (0.52) OPRD1ALDH1A1LMNAOPRM1OPRK1
SCHEMBL6681808 0.78 DRD2 (0.50) OPRD1CA12ALDH1A1CA2LMNA
SCHEMBL9136443 0.77 ALOX5 (0.45) OPRD1ALOX5OPRM1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007087250-A2 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-08-02 WO disclosed
CN-1031266-C Process for preparation of heterocycle ether derivatives ZENECA LTD (GB) 1996-03-13 CN disclosed
EP-0385662-B1 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LTD (GB) 1995-12-13 EP disclosed
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 US disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed