SCHEMBL4631121

SCHEMBL4631121

COC(=O)OC1CCC(C(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP19A1 P11511 1/20 0.45
GAA P10253 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
EPHX1 P07099 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.37
EPHX2 P34913 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LIPA P38571 1/20 0.36
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL22733771 0.94 MAPT (0.53) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL2380073 0.86 MAPT (0.50) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL35809 0.86 MAPT (0.50) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL8727040 0.86 MAPT (0.50) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL1078014 0.85 EPHX1 (0.39) MAPTSMN1; SMN2CYP19A1EPHX1MEN1
SCHEMBL697519 0.85
SCHEMBL27529787 0.84 MAPT (0.49) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL4582405 0.84 MAPT (0.49) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL1820747 0.82 MAPT (0.47) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
Bicarbonate SCHEMBL28052024 0.82 MAPT (0.47) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698684-B1 Alkyl cycloheptylmethyl carbonates and perfume compositions KAO CORP (JP) 2008-05-14 EP disclosed
EP-1698684-A1 Alkyl cycloheptylmethyl carbonates and perfume compositions Kao Corporation (JP) 2006-09-06 EP disclosed
CN-1332205-A Radiation-sensitive resin composition JSR CORP (JP) 2002-01-23 CN disclosed
US-4080309-A Carbonic acid ester perfumes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DT) 1978-03-21 US disclosed