SCHEMBL8104641

SCHEMBL8104641

CCOC(=O)CCCCCCCn1cnc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.53
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.45
KLK7 P49862 1/20 0.45
EP300 Q09472 4/20 0.44
PTPN1 P18031 1/20 0.44
HTT P42858 1/20 0.44
LTB4R Q15722 1/20 0.43
TNF P01375 1/20 0.43
PARP1 P09874 1/20 0.42
TBXAS1 P24557 1/20 0.42

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
SCHEMBL4418553 0.90 ALDH1A1 (0.59) FAAHALDH1A1RAB9ASMN1; SMN2GAA
SCHEMBL17874829 0.79 TLR8 (0.52) ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL5717569 0.77 LTB4R (0.48) FAAHALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL8112625 0.76 FAAH (0.64) FAAHALDH1A1GAA
SCHEMBL8103726 0.76 FAAH (0.64) FAAHALDH1A1GAA
SCHEMBL651699 0.76 CYP2E1 (0.50) FAAHALDH1A1RAB9A
SCHEMBL9291482 0.76 LTB4R (0.56) FAAHALDH1A1SMN1; SMN2PTPN1LTB4R
SCHEMBL8104256 0.75 FAAH (0.63) FAAHALDH1A1SMN1; SMN2HTTTNF
SCHEMBL5717660 0.75 CYP2A6 (0.59) FAAHALDH1A1LTB4RTBXAS1
SCHEMBL15923223 0.75 TLR8 (0.46) LTB4R

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-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 EP disclosed
US-5663053-A COENZYME A TRANSACYLASE FOR SCREENING SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 US disclosed
US-5648373-A CoA-IT and PAF inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-07-15 US disclosed