SCHEMBL28215958

SCHEMBL28215958

CC(O)C(=O)Oc1ccccc1-c1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.48
PBRM1 Q86U86 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
APAF1 O14727 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPRC P08575 1/20 0.42
PTPRF P10586 1/20 0.42
PTPN1 P18031 1/20 0.42
CDC25B P30305 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR4A2 P43354 2/20 0.41
CREBBP Q92793 1/20 0.41
GSK3B P49841 1/20 0.41
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41

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
SCHEMBL4661761 0.84 SLC22A6 (0.67) SLC22A6PBRM1MAPTKDM4EAPAF1
SCHEMBL4223719 0.83 SLC22A6 (0.69) SLC22A6PBRM1MAPTNR4A2CREBBP
SCHEMBL27790479 0.77 MAPK1 (0.52) SLC22A6PBRM1MAPTALDH1A1PTPRC
SCHEMBL27494000 0.75 PDGFRB (0.51) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL27498634 0.74 SLC22A6 (0.69) SLC22A6PBRM1MAPTKDM4EAPAF1
SCHEMBL8945241 0.72 KDM4E (0.51) SLC22A6PBRM1MAPTKDM4EAPAF1
SCHEMBL11537835 0.72 KIF11 (0.45) PBRM1MAPTKDM4EALDH1A1HTT
SCHEMBL23241898 0.72 SLC22A6 (0.66) SLC22A6PBRM1MAPTKDM4EAPAF1
SCHEMBL21806575 0.72 SLC22A6 (0.66) SLC22A6PBRM1MAPTKDM4EAPAF1
SCHEMBL1822132 0.71 SLC22A6 (0.65) SLC22A6PBRM1MAPTKDM4EAPAF1

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
CN-108218760-A A kind of crystal form of Bazedoxifene Pfansteihl salt 福建省微生物研究所 2018-06-29 CN disclosed