SCHEMBL8600595

SCHEMBL8600595

CCN(CC)C(=O)/C(C)=C\c1ccc(OCc2cccs2)c(OCC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.46
LTB4R2 Q9NPC1 8/20 0.46
TRPM8 Q7Z2W7 5/20 0.43
ALDH1A1 P00352 2/20 0.39
APP P05067 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
TNFRSF1A P19438 1/20 0.38

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
SCHEMBL8571699 0.83 LTB4R (0.52) LTB4RLTB4R2ALDH1A1APPKDM4E
SCHEMBL8564500 0.83 LTB4R (0.65) LTB4RLTB4R2ALDH1A1APPKDM4E
SCHEMBL8422165 0.83 LTB4R (0.46) LTB4RLTB4R2TRPM8ALDH1A1APP
SCHEMBL8422442 0.83 LTB4R (0.48) LTB4RLTB4R2TRPM8ALDH1A1APP
SCHEMBL8420625 0.82 TRPM8 (0.44) LTB4RLTB4R2TRPM8ALDH1A1APP
SCHEMBL8569978 0.82 LTB4R (0.52) LTB4RLTB4R2ALDH1A1APPKDM4E
SCHEMBL8420169 0.82 LTB4R (0.52) LTB4RLTB4R2ALDH1A1APPKDM4E
SCHEMBL8418885 0.82 LTB4R (0.65) LTB4RLTB4R2ALDH1A1APPKDM4E
SCHEMBL8418430 0.81 LTB4R (0.52) LTB4RLTB4R2ALDH1A1APPKDM4E
SCHEMBL8420802 0.80 LTB4R (0.46) LTB4RLTB4R2ALDH1A1APPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942903-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 1999-09-22 EP disclosed
WO-1998013347-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 1998-04-02 WO disclosed