SCHEMBL4629918

SCHEMBL4629918

CCOC(=O)OC1CCC(C(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 3/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP19A1 P11511 1/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
SOAT1 P35610 1/20 0.40
HSD11B1 P28845 1/20 0.38
LIPA P38571 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37

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 0.86 MAPT (0.53) APOBEC3AAPOBEC3GSMN1; SMN2HTTKDM4E
SCHEMBL4640870 0.86
SCHEMBL1078049 0.86 ALDH1A1 (0.57) HTTMAPTALDH1A1GAASOAT1
SCHEMBL8727040 0.82 MAPT (0.50) APOBEC3AAPOBEC3GSMN1; SMN2HTTKDM4E
SCHEMBL35809 0.82 MAPT (0.50) APOBEC3AAPOBEC3GSMN1; SMN2HTTKDM4E
SCHEMBL2380073 0.82 MAPT (0.50) APOBEC3AAPOBEC3GSMN1; SMN2HTTKDM4E
SCHEMBL1080880 0.81 ALDH1A1 (0.43) APOBEC3AAPOBEC3GSMN1; SMN2HTTKDM4E
SCHEMBL4582405 0.81 MAPT (0.49) APOBEC3AAPOBEC3GSMN1; SMN2HTTKDM4E
SCHEMBL4631121 0.81 MAPT (0.49) APOBEC3AAPOBEC3GSMN1; SMN2HTTKDM4E
SCHEMBL27529787 0.81 MAPT (0.49) APOBEC3AAPOBEC3GSMN1; SMN2HTTKDM4E

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
US-4088590-A BRAKE FLUIDS WITH GOOD THERMAL STABILITY HOECHST AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4080309-A Carbonic acid ester perfumes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DT) 1978-03-21 US disclosed