SCHEMBL728135

SCHEMBL728135

C1=COc2c(cccc2-c2cccc3c2OC=CO3)O1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.34
TYMS P04818 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 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
SCHEMBL12043673 0.80 CYP2A6 (0.36) MTNR1AATM
SCHEMBL2482607 0.79 TYMS (0.32) TYMSKDM4EMAPK1ATM
SCHEMBL15844124 0.75 CYP3A4 (0.36) MTNR1A
SCHEMBL14163138 0.75 ACHE (0.33) MTNR1A
SCHEMBL7481326 0.75 HPGD (0.38) MTNR1AKDM4EATM
SCHEMBL7523324 0.70 LMNA (0.42) MTNR1AKDM4E
SCHEMBL14163106 0.70 CA1 (0.42) MTNR1AKDM4EMAPK1
SCHEMBL4046834 0.70 TRPA1 (0.44) MTNR1A
SCHEMBL7519095 0.70 MTNR1A (0.46) MTNR1A
SCHEMBL30334802 0.70 LMNA (0.43) KDM4E

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
JP-4740248-B2 2011-08-03 JP claimed
JP-2008514193-A 2008-05-08 JP claimed
EP-1797191-A2 METHOD FOR PRODUCING AN OPTICALLY ACTIVE 2-METHYL-ALKANE-1-OL FROM THE CORRESPONDING 2-METHYLALK-2-EN-1-AL, COMPRISING CARBONYL-SELECTIVE REDUCTION, ENANTIOSELECTIVE HYDRATION AND LIPASE-CATALYZED, STEREOSELECTIVE ACYLATION IN ORDER TO ENRICH THE DESIRED ENANTIOMER BASF AKTIENGESELLSCHAFT (DE) 2007-06-20 EP claimed
WO-2006034812-A2 METHOD FOR PRODUCING AN OPTICALLY ACTIVE 2-METHYL-ALKANE-1-OL FROM THE CORRESPONDING 2-METHYLALK-2-EN-1-AL, COMPRISING CARBONYL-SELECTIVE REDUCTION, ENANTIOSELECTIVE HYDRATION AND LIPASE-CATALYZED, STEREOSELECTIVE ACYLATION IN ORDER TO ENRICH THE DESIRED ENANTIOMER BASF AKTIENGESELLSCHAFT (DE) 2006-04-06 WO claimed