Cyclohexane

Cyclohexane

SCHEMBL7301137

C1CCCCC1.CCN(CC)CC.CCOCC

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 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
Ether SCHEMBL324618 0.90 ALDH1A1 (0.35) MEN1POLBKMT2AALDH1A1
Ether SCHEMBL7862995 0.84 ALDH1A1 (0.38) MEN1POLBKMT2AALDH1A1
Cyclohexane SCHEMBL8471239 0.83 ADH1C (0.32) KMT2AALDH1A1
Cyclohexane SCHEMBL7376420 0.83 ALDH1A1 (0.39) ALDH1A1
Cyclopentane SCHEMBL8923462 0.83 ALDH1A1 (0.39) ALDH1A1
Cyclohexane SCHEMBL8441380 0.83 ALDH1A1 (0.39) ALDH1A1
Cyclohexane SCHEMBL2292997 0.83 ALDH1A1 (0.39) ALDH1A1
Cyclohexane SCHEMBL2297628 0.83 ALDH1A1 (0.39) ALDH1A1
Ether SCHEMBL232500 0.83
Cyclohexane SCHEMBL8441382 0.83 ALDH1A1 (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5861414-A INHIBITING BLOOD PLATELET AGGREGATION FOR ANTITHROMBOTIC DISORDERS GLAXO GROUP LIMITED (GB) 1999-01-19 US disclosed
EP-0501322-B1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LTD (GB) 1996-09-04 EP disclosed
WO-1992014727-A1 3-PIPERIDINYLMETHYLCARBOXYLATE SUBSTITUTED INDOLES GLAXO GROUP LIMITED (GB) 1992-09-03 WO disclosed
EP-0501322-A1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LIMITED (GB) 1992-09-02 EP disclosed