SCHEMBL6766085

SCHEMBL6766085

[CH](CC1CCCC1)CC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
CHRM5 P08912 2/20 0.33
CYP1A2 P05177 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL6873949 0.97 ADH1B (0.40) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2021416 0.97 ADH1B (0.40) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3848698 0.97 ADH1B (0.40) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5462678 0.94 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9697171 0.93 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5179120 0.85
SCHEMBL867426 0.82
SCHEMBL1691999 0.80
SCHEMBL866538 0.80 CYP1A2 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL866853 0.80 CYP1A2 (0.42) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579766-B1 N-ARYLHETEROARYLALKYL IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 1999-06-02 EP claimed
WO-2014113407-A2 USE OF SMALL MOLECULE INHIBITORS TARGETING EYA TYROSINE PHOSPHATASE CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2014-07-24 WO disclosed
US-6730788-B1 COUPLING WITH KETONE IN PRESENCE OF LANTHANIDE II METAL COMPOUND UNIVERSITY OF NOTRE DAME 2004-05-04 US disclosed