SCHEMBL11068082

SCHEMBL11068082

CC(O)CNCC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
EPHX1 P07099 3/20 0.41
BCHE P06276 6/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL15787849 0.89
SCHEMBL172616 0.84 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL15868930 0.82 HTT (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22080075 0.81 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL20394545 0.81 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13995749 0.81 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL24494850 0.80 BCHE (0.43) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8042844 0.79 ADH1B (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL24495006 0.79 BCHE (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL20495655 0.79 HTT (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed