SCHEMBL6420173

SCHEMBL6420173

CC(C)COC(=O)N1CCCC(O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
TSHR P16473 2/20 0.40
HSD11B1 P28845 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
DPP4 P27487 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
GRM3 Q14832 1/20 0.38

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
SCHEMBL3712535 0.95 RAB9A (0.48) RAB9APRMT5WDR77MEN1HPGD
SCHEMBL4595765 0.90 DPP4 (0.48) RAB9APRMT5WDR77MEN1HPGD
SCHEMBL3718960 0.88 RAB9A (0.52) RAB9APRMT5WDR77MEN1HPGD
SCHEMBL24131317 0.84 RAB9A (0.52) RAB9AMEN1HPGDKMT2AJAK2
SCHEMBL8489223 0.83 ALDH1A1 (0.50) PRMT5WDR77TSHRCA12CA1
SCHEMBL13864821 0.83 ALDH1A1 (0.50) PRMT5WDR77TSHRCA12CA1
SCHEMBL1692767 0.83 RAB9A (0.45) RAB9AMEN1HPGDKMT2AJAK2
SCHEMBL793727 0.83 RAB9A (0.51) RAB9APRMT5WDR77MEN1HPGD
SCHEMBL21675613 0.82 RAB9A (0.50) RAB9AMEN1HPGDKMT2AJAK2
SCHEMBL14011496 0.82 RAB9A (0.50) RAB9APRMT5WDR77MEN1HPGD

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
EP-1597264-A2 ANTIPARASITIC TERPENE ALKALOIDS Pfizer Limited (GB) 2005-11-23 EP disclosed
WO-2004072086-A2 ANTIPARASITIC TERPENE ALKALOIDS PFIZER LIMITED (GB) 2004-08-26 WO disclosed