SCHEMBL6897414

SCHEMBL6897414

N[C@H](C1CCCCC1)C(O)(Cc1cccc2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.49
EPHX1 P07099 2/20 0.44
METAP1 P53582 3/20 0.42
TSHR P16473 1/20 0.41
SLC18A2 Q05940 1/20 0.40
BCHE P06276 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
ACP3 P15309 1/20 0.37

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
SCHEMBL6897426 1.00 METAP2 (0.49) METAP2EPHX1METAP1TSHRSLC18A2
SCHEMBL6898450 0.77 METAP2 (0.44) METAP2EPHX1METAP1ACP3
SCHEMBL6898442 0.77 METAP2 (0.44) METAP2EPHX1METAP1ACP3
SCHEMBL6890696 0.77 EPHX1 (0.41) METAP2EPHX1METAP1TSHR
SCHEMBL6898069 0.77 EPHX1 (0.41) METAP2EPHX1METAP1TSHR
SCHEMBL6890690 0.77 EPHX1 (0.41) METAP2EPHX1METAP1TSHR
SCHEMBL6891293 0.76 EPHX1 (0.52) METAP2EPHX1METAP1BCHE
SCHEMBL6891284 0.76 EPHX1 (0.52) METAP2EPHX1METAP1BCHE
SCHEMBL820686 0.73 CYP1A2 (0.41) ACP3
SCHEMBL27633095 0.73 CYP1A2 (0.41) ACP3

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