SCHEMBL14720765

SCHEMBL14720765

CCOC(=O)C1CC(O)(c2ccc(C=C3CCN(C4CCC4)CC3)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL14720855 0.91 POLB (0.40) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL14720457 0.79 HRH3 (0.33) ALDH1A1
SCHEMBL14720732 0.79 CYP2C19 (0.41) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL14720551 0.79 ALDH1A1 (0.56) POLBALDH1A1HTTNPC1RAB9A
SCHEMBL14720880 0.78 POLB (0.34) POLBPKMLMNAMAPT
SCHEMBL12697262 0.78 ALDH1A1 (0.43) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL14720812 0.78 HRH3 (0.34)
SCHEMBL14721332 0.77 HRH3 (0.39) KMT2AMEN1
SCHEMBL14720541 0.77 POLB (0.43) KMT2AMEN1POLBALDH1A1PKM
SCHEMBL14720724 0.76 ALDH1A1 (0.58) KMT2APOLBALDH1A1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO claimed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed