SCHEMBL6891293

SCHEMBL6891293

NC(C1CCCCC1)C(O)(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
CASR P41180 10/20 0.46
METAP2 P50579 2/20 0.44
METAP1 P53582 1/20 0.44
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
BCHE P06276 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6891284 1.00 EPHX1 (0.52) EPHX1CASRMETAP2METAP1GABBR2
SCHEMBL6890690 0.83 EPHX1 (0.41) EPHX1METAP2METAP1
SCHEMBL6890696 0.83 EPHX1 (0.41) EPHX1METAP2METAP1
SCHEMBL6898069 0.83 EPHX1 (0.41) EPHX1METAP2METAP1
SCHEMBL6896239 0.76 GABBR2 (0.45) EPHX1METAP2METAP1GABBR2GABBR1
SCHEMBL6896230 0.76 GABBR2 (0.45) EPHX1METAP2METAP1GABBR2GABBR1
SCHEMBL6897414 0.76 METAP2 (0.49) EPHX1METAP2METAP1BCHE
SCHEMBL6897426 0.76 METAP2 (0.49) EPHX1METAP2METAP1BCHE
SCHEMBL27766100 0.75 CYP1A2 (0.41) EPHX1SLC6A2SLC6A4SLC6A3
SCHEMBL27653549 0.73 HTR2A (0.46) CASRHTR2AHTR2CHTR2BSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317461-B1 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES SCHERING CORP (US) 2004-11-03 EP disclosed
EP-1317461-A1 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES SCHERING CORPORATION (US) 2003-06-11 EP disclosed
US-6509472-B2 For use in enantioselective reduction of prochiral ketones to chiral secondary alcohols SCHERING CORPORATION 2003-01-21 US disclosed
WO-2002022623-A1 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES SCHERING CORPORATION (US) 2002-03-21 WO disclosed