SCHEMBL6561740

SCHEMBL6561740

CCCc1c(O)cccc1OCC(=O)CC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.46
CNR1 P21554 6/20 0.44
CNR2 P34972 6/20 0.44
IAPP P10997 1/20 0.42
CTSD P07339 1/20 0.42
PTPN1 P18031 1/20 0.39
LTB4R2 Q9NPC1 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
SCHEMBL8957184 0.86 LTB4R (0.58) LTB4R
SCHEMBL6559825 0.82 ALDH1A1 (0.49) LTB4RCNR1CNR2CTSDLTB4R2
SCHEMBL8949549 0.82 ABCB1 (0.49) LTB4RCNR1CNR2CTSDPTPN1
SCHEMBL6561729 0.81 L3MBTL1 (0.51) LTB4R
SCHEMBL6561407 0.81 MTNR1A (0.40) LTB4RCNR1CNR2IAPPPTPN1
SCHEMBL27324155 0.80 IAPP (0.51) IAPP
SCHEMBL9312500 0.78 LMNA (0.53) LTB4RCNR1CNR2LTB4R2
SCHEMBL8586495 0.77 LTB4R (0.57) LTB4RCNR1CNR2LTB4R2
SCHEMBL31613792 0.75 TP53 (0.55) CNR1CNR2CTSD
SCHEMBL1400620 0.75 TP53 (0.55) CNR1CNR2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-0904079-A4 1999-05-06 EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed