SCHEMBL9752714

SCHEMBL9752714

CCCCCCC(O)CCC1=NCCO1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 1/20 0.39
HTR1A P08908 1/20 0.37
GPR84 Q9NQS5 5/20 0.37
NFKB1 P19838 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
FAAH O00519 1/20 0.33

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
SCHEMBL8988086 0.94 FFAR4 (0.39) FFAR4FFAR1HTR1AGPR84NFKB1
SCHEMBL2670687 0.83 ACE2 (0.37)
SCHEMBL8340808 0.81 FFAR1 (0.50) FFAR4FFAR1NFKB1ALDH1A1GAA
SCHEMBL8340806 0.81 FFAR1 (0.50) FFAR4FFAR1NFKB1ALDH1A1GAA
SCHEMBL8389006 0.81 FFAR1 (0.50) FFAR4FFAR1NFKB1ALDH1A1GAA
Methyl Alcohol SCHEMBL11182681 0.80 SCD (0.33) ALDH1A1LMNA
SCHEMBL7060405 0.80 KCNH2 (0.34) ALDH1A1HPGD
SCHEMBL7058385 0.80 KCNH2 (0.34) ALDH1A1HPGD
SCHEMBL7061452 0.80 KCNH2 (0.34) ALDH1A1HPGD
SCHEMBL7206068 0.80 KCNH2 (0.34) ALDH1A1HPGD

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
WO-1991009898-A1 PROCESS FOR PREPARING NEW POLYMERS CONTAINING CARBOXYL GROUPS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-07-11 WO disclosed