SCHEMBL6898442

SCHEMBL6898442

N[C@H](C1CCCCC1)C(O)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.44
METAP1 P53582 4/20 0.44
EPHX1 P07099 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACP3 P15309 1/20 0.37
KIF11 P52732 1/20 0.36
DPP4 P27487 3/20 0.36
DPP7 Q9UHL4 3/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
KCNJ11 Q14654 1/20 0.35

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
SCHEMBL6898450 1.00 METAP2 (0.44) METAP2METAP1EPHX1KDM4EMEN1
SCHEMBL6897426 0.77 METAP2 (0.49) METAP2METAP1EPHX1ACP3
SCHEMBL6897414 0.77 METAP2 (0.49) METAP2METAP1EPHX1ACP3
SCHEMBL6898544 0.76 IDO1 (0.42) METAP2METAP1KDM4EMEN1KMT2A
SCHEMBL6898546 0.76 IDO1 (0.42) METAP2METAP1KDM4EMEN1KMT2A
SCHEMBL6899688 0.76 IDO1 (0.42) METAP2METAP1KDM4EMEN1KMT2A
SCHEMBL6896230 0.75 GABBR2 (0.45) METAP2METAP1EPHX1KDM4EMEN1
SCHEMBL6896239 0.75 GABBR2 (0.45) METAP2METAP1EPHX1KDM4EMEN1
Hydrochloric Acid SCHEMBL6898738 0.74 IDO1 (0.44) METAP2METAP1KDM4EMEN1RAB9A
Hydrochloric Acid SCHEMBL6898731 0.74 IDO1 (0.44) METAP2METAP1KDM4EMEN1RAB9A

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