SCHEMBL7009858

SCHEMBL7009858

CC(C)(C)C1CCC(CCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPA P38571 1/20 0.46
ESR2 Q92731 2/20 0.39
CDC25B P30305 1/20 0.36
EPHX1 P07099 1/20 0.35
HSD11B1 P28845 1/20 0.34
BRD4 O60885 1/20 0.32
HTT P42858 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
EPHX2 P34913 1/20 0.31
ALPL P05186 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL25957914 0.87 ESR2 (0.41) LIPAESR2BRD4
SCHEMBL8048263 0.82 LIPA (0.41) LIPACDC25BEPHX1HSD11B1HTT
SCHEMBL61309 0.82 LIPA (0.41) LIPACDC25BEPHX1HSD11B1HTT
SCHEMBL10888768 0.82 LIPA (0.47) LIPAESR2CDC25BEPHX1HSD11B1
SCHEMBL5194764 0.82 LIPA (0.47) LIPAESR2CDC25BEPHX1HSD11B1
SCHEMBL5194752 0.82 LIPA (0.47) LIPAESR2CDC25BEPHX1HSD11B1
SCHEMBL24197652 0.81 ESR2 (0.50) ESR2BRD4
SCHEMBL5733 0.81
SCHEMBL240852 0.81 ESR2 (0.50) ESR2BRD4
SCHEMBL8154746 0.79 KDM4E (0.39) LIPAESR2HTTKDM4ESMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1125029-C Preparation of hydroxyl-contained organics acetate, especially linalyl acetate BASF AG (DE) 2003-10-22 CN disclosed
EP-0949239-B1 Process for the preparation of linalyl acetate BASF AG (DE) 2003-01-08 EP disclosed
US-6156926-A Preparation of acetates of hydroxyl group-containing organics, in particular linalyl acetate BASF AKTIENGESELLSCHAFT (DE) 2000-12-05 US disclosed
CN-1234391-A Preparation of hydroxyl-contained organics acetate, especially linalyl acetate BASF AG (DE) 1999-11-10 CN disclosed
EP-0949239-A1 Process for the preparation of linalyl acetate BASF AKTIENGESELLSCHAFT (DE) 1999-10-13 EP disclosed