SCHEMBL7595334

SCHEMBL7595334

O=C1OC(=O)OC2CCCC2O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.34
F2 P00734 5/20 0.34
CTRC Q99895 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
PPM1B O75688 1/20 0.33
LMNA P02545 1/20 0.33
PPP1CC P36873 1/20 0.33
TFPI2 P48307 1/20 0.33
RAB9A P51151 1/20 0.33
PPP5C P53041 1/20 0.33
PPP1CA P62136 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL3369402 0.94 KDM4E (0.33) PRSS1F2CTRCKDM4EGMNN
SCHEMBL300128 0.94 KDM4E (0.33) PRSS1F2CTRCKDM4EGMNN
SCHEMBL3374288 0.94 KDM4E (0.33) PRSS1F2CTRCKDM4EGMNN
SCHEMBL8994775 0.92 KDM4E (0.32) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL3919467 0.88 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL8078330 0.88
SCHEMBL5177038 0.88 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL16221630 0.82 PRSS1 (0.32) PRSS1F2CTRCKDM4EGMNN
SCHEMBL2351624 0.82 PRSS1 (0.32) PRSS1F2CTRCKDM4EGMNN
SCHEMBL14219148 0.82 PRSS1 (0.32) PRSS1F2CTRCKDM4EGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2267054-B1 Polyester synthesis XEROX CORP (US) 2012-08-22 EP claimed
EP-1256568-A1 Intermediates for the preparation of enantiomerically pure cyclopentane and cyclopentene beta amino acids BAYER AG (DE) 2002-11-13 EP disclosed
EP-0788473-B1 NOVEL HIGH ENANTIO-SELECTIVE PROCESS FOR PRODUCING PURE ENANTIOMERIC CYCLOPENTANE AND CYCLOPENTENE-BETA-AMINO ACIDS BAYER AG (DE) 2002-11-06 EP disclosed
EP-0805145-B1 Efficient and highly enantioselective process for the preparation of enantiomerically pure cylopentane-beta-amino acids BAYER AG (DE) 2001-10-31 EP disclosed
EP-0805145-A1 Efficient and highly enantioselective process for the preparation of enantiomerically pure cylopentane-beta-amino acids BAYER AG (DE) 1997-11-05 EP disclosed
US-5395721-A Electrophotographic material for color proofing FUJI PHOTO FILM CO., LTD. (JP) 1995-03-07 US disclosed
US-5391445-A FLUORINE AND/OR SILICON-CONTAINING POLYMER FUJI PHOTO FILM CO., LTD. (JP) 1995-02-21 US disclosed
EP-0220519-A2 Use of a 2-aryl-3,4-diaza-bicyclo[4.n.O]alk-2-en-5-one in the preparation of a medicament for the treatment of cardiac insufficiency BASF Aktiengesellschaft (DE) 1987-05-06 EP disclosed
EP-0068310-B1 2-ARYL-3,4-DIAZA-BICYCLO(4.N.0)ALKEN-(2)-ONES-(5), PROCESS FOR THEIR PREPARATION, AND MEDICINES CONTAINING THESE COMPOUNDS BASF Aktiengesellschaft (DE) 1984-08-08 EP disclosed
EP-0068310-A1 2-Aryl-3,4-diaza-bicyclo(4.n.0)alken-(2)-ones-(5), process for their preparation, and medicines containing these compounds BASF Aktiengesellschaft (DE) 1983-01-05 EP disclosed