Cyclohexane

Cyclohexane

SCHEMBL28027573

C1CCCCC1.C=C(C)C(=O)O.C=CC(=O)O.CO.CO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.33

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
Methacrylic Acid SCHEMBL28027572 1.00 LMNA (0.50) LMNAALOX15HSD17B10ALDH1A1TSHR
Methacrylic Acid SCHEMBL9575982 0.97 LMNA (0.53) LMNAALOX15HSD17B10ALDH1A1TSHR
Methacrylic Acid SCHEMBL1784115 0.89 LMNA (0.62) LMNAALOX15HSD17B10ALDH1A1TSHR
Methacrylic Acid SCHEMBL5964487 0.89 LMNA (0.62) LMNAALOX15HSD17B10ALDH1A1TSHR
Methacrylic Acid SCHEMBL9726633 0.89 LMNA (0.62) LMNAALOX15HSD17B10ALDH1A1TSHR
Methacrylic Acid SCHEMBL23071293 0.89 LMNA (0.62) LMNAALOX15HSD17B10ALDH1A1TSHR
Methacrylic Acid SCHEMBL11114117 0.89 LMNA (0.62) LMNAALOX15HSD17B10ALDH1A1TSHR
Methacrylic Acid SCHEMBL5013791 0.89 LMNA (0.62) LMNAALOX15HSD17B10ALDH1A1TSHR
Methacrylic Acid SCHEMBL137716 0.89 LMNA (0.62) LMNAALOX15HSD17B10ALDH1A1TSHR
Methacrylic Acid SCHEMBL9681348 0.89 LMNA (0.62) LMNAALOX15HSD17B10ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102225945-B A kind of (methyl) vinylformic acid esterification oxazole heterocyclic boronic acids ester and its preparation method and application SUN YAT-SEN UNIVERSITY (CN) 2015-08-19 CN disclosed