SCHEMBL16898640

SCHEMBL16898640

OCCOCCOCCOC[C@H]1C[C@H]2C=C[C@@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
HTT P42858 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL13863428 1.00 MEN1 (0.38) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL16426456 1.00 MEN1 (0.38) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL16898642 1.00 MEN1 (0.38) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL19726769 1.00 MEN1 (0.38) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL31273755 1.00 MEN1 (0.38) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL121824 0.96 KDM4E (0.38) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL12748073 0.90 KDM4E (0.34) KDM4EALDH1A1TSHRPOLBALOX15
SCHEMBL24183422 0.89 KDM4E (0.42) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL19689426 0.89 KDM4E (0.42) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL15462770 0.86 KDM4E (0.36) MEN1KMT2AKDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 WO disclosed