SCHEMBL7532624

SCHEMBL7532624

Oc1cc(F)cc(C2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
OPRL1 P41146 1/20 0.37
RPS6KA3 P51812 1/20 0.35
HCAR1 Q9BXC0 1/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
DAO P14920 1/20 0.33
PRKAB2 O43741 2/20 0.32
PRKAG1 P54619 2/20 0.32
PRKAA2 P54646 2/20 0.32
PRKAA1 Q13131 2/20 0.32
PRKAG3 Q9UGI9 2/20 0.32
PRKAG2 Q9UGJ0 2/20 0.32
PRKAB1 Q9Y478 2/20 0.32
SERPINE1 P05121 1/20 0.32
KDM1A O60341 1/20 0.31
PDE2A O00408 1/20 0.30
PIK3CB P42338 1/20 0.30

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
SCHEMBL23931791 0.86 CA12 (0.52) CA12CA1CA9HCAR1KDM1A
SCHEMBL6266203 0.86 DAO (0.37) OPRL1RPS6KA3DAOPRKAB2PRKAG1
SCHEMBL31426185 0.78 DAO (0.33) RPS6KA3DAOKDM1APDE2A
SCHEMBL24310077 0.78 QDPR (0.49) CA12CA1CA9
SCHEMBL22781515 0.78 ALDH1A1 (0.43) OPRL1RPS6KA3HCAR1PIK3CDPIK3CA
SCHEMBL24309521 0.75 QDPR (0.51) CA12CA1CA9
SCHEMBL27943605 0.75 PRMT5 (0.35) DAOPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7802457 0.74 POLB (0.33) CA12CA1CA9HCAR1KDM1A
SCHEMBL12297787 0.72 ESR2 (0.48)
SCHEMBL7809070 0.72 OPRL1 (0.61) OPRL1PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250332-A1 INHIBITORS OF INTERLEUKIN 5 GENE EXPRESSION Abbott Laboratories (US) 2002-10-23 EP disclosed
WO-2001044223-A1 INHIBITORS OF INTERLEUKIN 5 GENE EXPRESSION ABBOTT LABORATORIES (US) 2001-06-21 WO disclosed
EP-0462830-B1 Cyclic ether derivatives ZENECA LTD (GB) 1995-10-18 EP disclosed
US-5407945-A Pyran derivatives and their use as inhibitors of 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES, INC. (GB) 1995-04-18 US disclosed
US-5254581-A Used in the treatment of various inflammatory and allergic diseases IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
EP-0462830-A2 Cyclic ether derivatives ZENECA LIMITED (GB) 1991-12-27 EP disclosed