Cyclohexane

Cyclohexane

SCHEMBL8149682

C1CCCCC1.c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.83
IDO1 P14902 1/20 0.52
AGXT P21549 1/20 0.50
LMNA P02545 1/20 0.50
LTA4H P09960 1/20 0.48
CA1 P00915 4/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
TACR1 P25103 3/20 0.45

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
SCHEMBL27380 0.91 TSHR (1.00) TSHRIDO1AGXTLMNACA1
SCHEMBL5311581 0.91 TSHR (1.00) TSHRIDO1AGXTLMNACA1
SCHEMBL9795394 0.88 TSHR (0.94) TSHRIDO1AGXTLTA4HCA1
Methane SCHEMBL11192510 0.88 TSHR (0.94) TSHRIDO1AGXTLMNACA1
Water SCHEMBL15535487 0.88 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Potassium SCHEMBL586337 0.88 TSHR (0.94) TSHRIDO1AGXTLMNACA1
SCHEMBL9725547 0.88 TSHR (0.94) TSHRIDO1AGXTLMNACA1
SCHEMBL10317949 0.88 TSHR (0.94) TSHRIDO1AGXTLMNACA1
SCHEMBL9491202 0.88 TSHR (0.94) TSHRIDO1AGXTLMNACA1
SCHEMBL1009266 0.88 TSHR (0.94) TSHRIDO1AGXTLMNACA1

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
JP-2000072762-A CYCLOHEXANE BENZYL ETHER COMPOUND AND HERBICIDE NISSAN CHEM IND LTD 2000-03-07 JP disclosed