SCHEMBL20173820

SCHEMBL20173820

FCCC1CCCC(C2CCCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
ALOX5 P09917 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
HPGD P15428 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
SCHEMBL13575940 0.77
SCHEMBL6114609 0.77
SCHEMBL7733247 0.75 SIGMAR1 (0.50) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL2216645 0.75 SIGMAR1 (0.50) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL7733178 0.75 SIGMAR1 (0.50) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL23395277 0.75 SIGMAR1 (0.50) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL1030893 0.75
SCHEMBL7733057 0.75 SIGMAR1 (0.50) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL7739380 0.75 SIGMAR1 (0.50) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL10747737 0.74 ALOX5 (0.42) ALDH1A1ALOX5SIGMAR1HPGD

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-20180143148-A1 A Method For Analysis Of Hydrocarbons In Water CHEVRON U.S.A. INC. 2018-05-24 US disclosed