Cyclohexane

Cyclohexane

SCHEMBL5696269

C1CCCCC1.CN1CCN(C)C1=O

nearest known ligand 0.46

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
BRD2 P25440 1/20 0.46
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.35
INMT O95050 2/20 0.33
CRBN Q96SW2 1/20 0.33
ADRA2C P18825 1/20 0.33
PIK3CD O00329 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3043 0.93
SCHEMBL2398125 0.93 BRD4 (0.43) BRD4BRD2KMT2AINMTCRBN
SCHEMBL916157 0.90 BRD4 (0.50) BRD4BRD2TSHRKMT2AINMT
Fluoride SCHEMBL15910775 0.90
Fluoride SCHEMBL28881930 0.90 BRD4 (0.41) BRD4BRD2KMT2ACRBNADRA2C
Ammonia Solution, Strong SCHEMBL28167192 0.90
Fluoride SCHEMBL6368967 0.90 BRD4 (0.41) BRD4BRD2KMT2ACRBNADRA2C
Lithium SCHEMBL31009372 0.90
Water SCHEMBL3778195 0.90
Hydrochloric Acid SCHEMBL9336582 0.90

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
US-20060207935-A1 Methods and device for substance separation using compatible multiphase solvent system TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY TLO CO., LTD. (JP) 2006-09-21 US disclosed
EP-1666114-A1 METHOD AND DEVICE FOR SUBSTANCE SEPARATION USING COMPATIBLE MULTIPHASE SOLVENT SYSTEM Tokyo University of Agriculture and Technology Tlo Co., Ltd. (JP) 2006-06-07 EP disclosed