SCHEMBL469812

SCHEMBL469812

C[C@H]1CC[C@@H](OC(=O)c2ccccc2)CO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CHRNA7 P36544 4/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
GAA P10253 1/20 0.49
BCHE P06276 1/20 0.47
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL30101255 1.00 MEN1 (0.52) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL31113478 0.85 PTPN2 (0.57) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL32678657 0.84 BCHE (0.46) BCHE
SCHEMBL32678656 0.84 BCHE (0.46) BCHE
SCHEMBL31113601 0.84 ALDH1A1 (0.49) KMT2AGAABCHELMNATDP1
SCHEMBL11636361 0.83 MEN1 (0.53) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL4453290 0.80 MEN1 (0.69) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL1786140 0.80 MEN1 (0.69) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL1564914 0.79 CHRNA7 (0.48) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL29949611 0.79 CHRNA7 (0.48) MEN1KMT2ACHRNA7HTR3EHTR3B

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-2012033266-A1 NOVEL ARTEMISININ OR DEOXOARTEMISININ-GLYCOLIPID HYBRID DERIVATIVES AND ANTIANGIOGENIC USE THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2012-03-15 WO disclosed