Cyclohexane

Cyclohexane

SCHEMBL15212796

C1CCCCC1.COC1CCCC1

nearest known ligand 0.38

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
ACHE P22303 1/20 0.37
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
EPHX1 P07099 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NAAA Q02083 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL1472301 1.00 CA1 (0.38) CA1CA2ACHECA12CA9
SCHEMBL607695 1.00 CA1 (0.38) CA1CA2ACHECA12CA9
SCHEMBL566961 1.00
SCHEMBL21237759 1.00 CA1 (0.38) CA1CA2ACHECA12CA9
SCHEMBL112370 1.00 CA1 (0.38) CA1CA2ACHECA12CA9
SCHEMBL40788 1.00
Ammonia Solution, Strong SCHEMBL8069132 0.97 CA1 (0.36) CA1CA2ACHECA12CA9
Ammonia Solution, Strong SCHEMBL8078467 0.97 CA1 (0.36) CA1CA2ACHECA12CA9
SCHEMBL17546177 0.97 CA1 (0.36) CA1CA2ACHECA12CA9
Ammonia Solution, Strong SCHEMBL8076692 0.97 CA1 (0.36) CA1CA2ACHECA12CA9

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-2815749-A1 Solid form of 4-amino-2-(2,6-dioxopiperidine-3-yl)isoindoline-1,3-dione having specified X-ray diffraction pattern IP Gesellschaft für Management mbH (DE) 2014-12-24 EP disclosed
WO-2013126326-A1 SOLID FORMS OF 4-AMINO-2-(2,6-DIOXOPIPERIDINE-3-YL)ISOINDOLINE-1,3-DIONE, COMPOSITIONS AND METHODS OF USE THEREOF CELGENE CORPORATION (US) 2013-08-29 WO disclosed